CID 1108

Sterone-ring

Structural Information

Molecular Formula
C17H28
SMILES
C1CCC2C(C1)CCC3C2CCC4C3CCC4
InChI
InChI=1S/C17H28/c1-2-6-14-12(4-1)8-10-17-15-7-3-5-13(15)9-11-16(14)17/h12-17H,1-11H2
InChIKey
UACIBCPNAKBWHX-UHFFFAOYSA-N
Compound name
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

29125
References

1317
Patents

232.2191 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.22638 157.3
[M+Na]+ 255.20832 158.8
[M-H]- 231.21182 160.5
[M+NH4]+ 250.25292 179.3
[M+K]+ 271.18226 153.7
[M+H-H2O]+ 215.21636 150.4
[M+HCOO]- 277.21730 167.4
[M+CH3COO]- 291.23295 166.3
[M+Na-2H]- 253.19377 157.3
[M]+ 232.21855 145.6
[M]- 232.21965 145.6
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

patents stripe