CID 21465095

4-benzylcyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C14H18O2
SMILES
C1CC(CCC1CC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C14H18O2/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,15,16)
InChIKey
GEULETLKTAXMIV-UHFFFAOYSA-N
Compound name
4-benzylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

218.13068 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.137956 150.2
[M+Na]+ 241.119898 154.1
[M-H]- 217.123404 154.5
[M+NH4]+ 236.164503 167.3
[M+K]+ 257.093838 150.9
[M+H-H2O]+ 201.127940 143.3
[M+HCOO]- 263.128881 168.4
[M+CH3COO]- 277.144531 185.7
[M+Na-2H]- 239.105346 152.8
[M]+ 218.13013142 145.0
[M]- 218.13122858 145.0
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