CID 11031398

Dtxsid501153067

Structural Information

Molecular Formula
C15H24O
SMILES
C1CCCCCC2=C(CCCC1)CCC2=O
InChI
InChI=1S/C15H24O/c16-15-12-11-13-9-7-5-3-1-2-4-6-8-10-14(13)15/h1-12H2
InChIKey
XJLVRZOPNZLSSM-UHFFFAOYSA-N
Compound name
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

21
Patents

220.18271 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 151.2
[M+Na]+ 243.17193 154.2
[M-H]- 219.17543 152.1
[M+NH4]+ 238.21653 169.2
[M+K]+ 259.14587 152.3
[M+H-H2O]+ 203.17997 148.4
[M+HCOO]- 265.18091 167.7
[M+CH3COO]- 279.19656 182.5
[M+Na-2H]- 241.15738 151.4
[M]+ 220.18216 141.1
[M]- 220.18326 141.1
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