CID 21122995

1-methyleneandrosterone

Structural Information

Molecular Formula
C20H30O2
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@]3(C(=C)C[C@H](C4)O)C
InChI
InChI=1S/C20H30O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h13-17,21H,1,4-11H2,2-3H3/t13-,14+,15-,16-,17-,19-,20-/m0/s1
InChIKey
YSEVFKWFUGTGAQ-MCMLKMLFSA-N
Compound name
(3S,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1-methylidene-3,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-2H-cyclopenta[a]phenanthren-17-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.22458 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.23186 176.9
[M+Na]+ 325.21380 185.5
[M+NH4]+ 320.25840 189.2
[M+K]+ 341.18774 176.0
[M-H]- 301.21730 179.1
[M+Na-2H]- 323.19925 178.0
[M]+ 302.22403 178.8
[M]- 302.22513 178.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.