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

1
Patents

236.17763 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 158.1
[M+Na]+ 259.166848 159.2
[M-H]- 235.170354 161.5
[M+NH4]+ 254.211453 174.3
[M+K]+ 275.140788 156.8
[M+H-H2O]+ 219.174890 151.2
[M+HCOO]- 281.175831 172.0
[M+CH3COO]- 295.191481 190.4
[M+Na-2H]- 257.152296 157.0
[M]+ 236.17708142 149.7
[M]- 236.17817858 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

patents stripe