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
2
Annotation Hits

0
References

4
Patents

234.19836 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.205636 155.3
[M+Na]+ 257.187578 158.9
[M-H]- 233.191084 156.5
[M+NH4]+ 252.232183 173.1
[M+K]+ 273.161518 156.6
[M+H-H2O]+ 217.195620 152.8
[M+HCOO]- 279.196561 171.5
[M+CH3COO]- 293.212211 186.6
[M+Na-2H]- 255.173026 154.4
[M]+ 234.19781142 146.0
[M]- 234.19890858 146.0
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