CID 139596994

Ns00052902

Structural Information

Molecular Formula
C15H24O
SMILES
CC1CCC=C(CC/C=C(\CCC1=O)/C)C
InChI
InChI=1S/C15H24O/c1-12-6-4-7-13(2)10-11-15(16)14(3)9-5-8-12/h7-8,14H,4-6,9-11H2,1-3H3/b12-8?,13-7-
InChIKey
RWVATVBAGFDQQL-BDBSPEFASA-N
Compound name
(4Z)-4,8,12-trimethylcyclododeca-4,8-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 149.5
[M+Na]+ 243.171928 155.4
[M-H]- 219.175434 150.9
[M+NH4]+ 238.216533 165.9
[M+K]+ 259.145868 153.7
[M+H-H2O]+ 203.179970 147.1
[M+HCOO]- 265.180911 168.5
[M+CH3COO]- 279.196561 186.4
[M+Na-2H]- 241.157376 150.3
[M]+ 220.18216142 143.8
[M]- 220.18325858 143.8
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.