CID 117056

71195-68-1

Structural Information

Molecular Formula
C17H18O2
SMILES
CC(C)C1=CC=C(C=C1)CC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C17H18O2/c1-12(2)14-9-7-13(8-10-14)11-15-5-3-4-6-16(15)17(18)19/h3-10,12H,11H2,1-2H3,(H,18,19)
InChIKey
XPRRFYQYOQSCRG-UHFFFAOYSA-N
Compound name
2-[(4-propan-2-ylphenyl)methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.13068 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13796 159.9
[M+Na]+ 277.11990 173.9
[M+NH4]+ 272.16450 168.1
[M+K]+ 293.09384 166.7
[M-H]- 253.12340 163.9
[M+Na-2H]- 275.10535 168.1
[M]+ 254.13013 163.1
[M]- 254.13123 163.1
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.