PubChemLite - Androst-5-en-3beta-ol (C19H30O)

Structural Information

Molecular Formula

SMILES

C[C@@]12CCC[C@H]1[C@@H]3CC=C4C[C@H](CC[C@@]4([C@H]3CC2)C)O

InChI

InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h5,14-17,20H,3-4,6-12H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1

InChIKey

LYFPAZBMEUSVNA-DYKIIFRCSA-N

Compound name

(3S,8S,9S,10R,13S,14S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

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]+	275.23696	170.6
[M+Na]+	297.21890	175.1
[M-H]-	273.22240	173.5
[M+NH4]+	292.26350	194.7
[M+K]+	313.19284	169.0
[M+H-H2O]+	257.22694	164.1
[M+HCOO]-	319.22788	180.0
[M+CH3COO]-	333.24353	179.7
[M+Na-2H]-	295.20435	171.5
[M]+	274.22913	161.8
[M]-	274.23023	161.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

275.23696

170.6

[M+Na]+

297.21890

175.1

[M-H]-

273.22240

173.5

[M+NH4]+

292.26350

194.7

[M+K]+

313.19284

169.0

[M+H-H2O]+

257.22694

164.1

[M+HCOO]-

319.22788

180.0

[M+CH3COO]-

333.24353

179.7

[M+Na-2H]-

295.20435

171.5

[M]+

274.22913

161.8

[M]-

274.23023

161.8

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

Androst-5-en-3beta-ol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe