CID 92615

56975-51-0

Structural Information

Molecular Formula
C16H26O
SMILES
CC1CC(=O)C2=C1CCCCCCCCCC2
InChI
InChI=1S/C16H26O/c1-13-12-16(17)15-11-9-7-5-3-2-4-6-8-10-14(13)15/h13H,2-12H2,1H3
InChIKey
RSJCZMMJWOHZNN-UHFFFAOYSA-N
Compound name
1-methyl-1,2,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclopenta[12]annulen-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

234.19836 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.20564 156.9
[M+Na]+ 257.18758 166.4
[M+NH4]+ 252.23218 165.5
[M+K]+ 273.16152 160.4
[M-H]- 233.19108 160.0
[M+Na-2H]- 255.17303 160.5
[M]+ 234.19781 158.7
[M]- 234.19891 158.7
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.