CID 98664

84682-27-9

Structural Information

Molecular Formula
C14H18O2
SMILES
CC1=CC=C(C=C1)C2(CCCCC2)C(=O)O
InChI
InChI=1S/C14H18O2/c1-11-5-7-12(8-6-11)14(13(15)16)9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3,(H,15,16)
InChIKey
BEVYUARQHKRBMH-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

218.13068 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.137956 150.6
[M+Na]+ 241.119898 155.6
[M-H]- 217.123404 155.3
[M+NH4]+ 236.164503 169.9
[M+K]+ 257.093838 152.7
[M+H-H2O]+ 201.127940 144.4
[M+HCOO]- 263.128881 168.8
[M+CH3COO]- 277.144531 185.2
[M+Na-2H]- 239.105346 154.3
[M]+ 218.13013142 145.7
[M]- 218.13122858 145.7
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.