CID 206756

Acetic acid, (4-cyclohexyl-1-cyclohexen-1-yl)-

Structural Information

Molecular Formula
C14H22O2
SMILES
C1CCC(CC1)C2CCC(=CC2)CC(=O)O
InChI
InChI=1S/C14H22O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h6,12-13H,1-5,7-10H2,(H,15,16)
InChIKey
IOUHTAWCGAWYMR-UHFFFAOYSA-N
Compound name
2-(4-cyclohexylcyclohexen-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

222.16199 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16927 153.7
[M+Na]+ 245.15121 155.5
[M-H]- 221.15471 157.1
[M+NH4]+ 240.19581 170.5
[M+K]+ 261.12515 152.7
[M+H-H2O]+ 205.15925 146.8
[M+HCOO]- 267.16019 168.9
[M+CH3COO]- 281.17584 186.5
[M+Na-2H]- 243.13666 154.2
[M]+ 222.16144 145.6
[M]- 222.16254 145.6
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