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

1311
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.