CID 206757

Propanoic acid, 2-(4-cyclohexyl-1-cyclohexen-1-yl)-

Structural Information

Molecular Formula
C15H24O2
SMILES
CC(C1=CCC(CC1)C2CCCCC2)C(=O)O
InChI
InChI=1S/C15H24O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7,11,13-14H,2-6,8-10H2,1H3,(H,16,17)
InChIKey
VKNIBPAITNJYAK-UHFFFAOYSA-N
Compound name
2-(4-cyclohexylcyclohexen-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.17763 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 158.1
[M+Na]+ 259.16685 159.2
[M-H]- 235.17035 161.5
[M+NH4]+ 254.21145 174.3
[M+K]+ 275.14079 156.8
[M+H-H2O]+ 219.17489 151.2
[M+HCOO]- 281.17583 172.0
[M+CH3COO]- 295.19148 190.4
[M+Na-2H]- 257.15230 157.0
[M]+ 236.17708 149.7
[M]- 236.17818 149.7
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.