PubChemLite - 19-nor-5-androstenediol (C18H28O2)

Structural Information

Molecular Formula

SMILES

C[C@]12CC[C@@H]3[C@H]4CC[C@@H](CC4=CC[C@H]3[C@@H]1CC[C@@H]2O)O

InChI

InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2,12-17,19-20H,3-10H2,1H3/t12-,13-,14+,15+,16-,17-,18-/m0/s1

InChIKey

VVUQRXPUVKXAIO-XFUVECHXSA-N

Compound name

(3S,8R,9S,10R,13S,14S,17S)-13-methyl-1,2,3,4,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol

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]+	277.21620	167.9
[M+Na]+	299.19814	176.9
[M+NH4]+	294.24274	179.5
[M+K]+	315.17208	169.6
[M-H]-	275.20164	170.4
[M+Na-2H]-	297.18359	168.9
[M]+	276.20837	169.9
[M]-	276.20947	169.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

277.21620

167.9

[M+Na]+

299.19814

176.9

[M+NH4]+

294.24274

179.5

[M+K]+

315.17208

169.6

[M-H]-

275.20164

170.4

[M+Na-2H]-

297.18359

168.9

[M]+

276.20837

169.9

[M]-

276.20947

169.9

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

19-nor-5-androstenediol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe