PubChemLite - Corticosterone (C21H30O4)

Structural Information

Molecular Formula

SMILES

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O

InChI

InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1

InChIKey

OMFXVFTZEKFJBZ-HJTSIMOOSA-N

Compound name

(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	347.22170	184.7
[M+Na]+	369.20364	189.4
[M-H]-	345.20714	186.3
[M+NH4]+	364.24824	205.2
[M+K]+	385.17758	183.8
[M+H-H2O]+	329.21168	179.5
[M+HCOO]-	391.21262	191.5
[M+CH3COO]-	405.22827	211.1
[M+Na-2H]-	367.18909	183.2
[M]+	346.21387	178.3
[M]-	346.21497	178.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

347.22170

184.7

[M+Na]+

369.20364

189.4

[M-H]-

345.20714

186.3

[M+NH4]+

364.24824

205.2

[M+K]+

385.17758

183.8

[M+H-H2O]+

329.21168

179.5

[M+HCOO]-

391.21262

191.5

[M+CH3COO]-

405.22827

211.1

[M+Na-2H]-

367.18909

183.2

[M]+

346.21387

178.3

[M]-

346.21497

178.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Corticosterone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe