CID 57709512

2-(2-ethylphenyl)-2-methylpropanoic acid

Structural Information

Molecular Formula
C12H16O2
SMILES
CCC1=CC=CC=C1C(C)(C)C(=O)O
InChI
InChI=1S/C12H16O2/c1-4-9-7-5-6-8-10(9)12(2,3)11(13)14/h5-8H,4H2,1-3H3,(H,13,14)
InChIKey
YGMCZNVWKMQEJC-UHFFFAOYSA-N
Compound name
2-(2-ethylphenyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

192.11504 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.12232 143.5
[M+Na]+ 215.10426 155.2
[M+NH4]+ 210.14886 151.2
[M+K]+ 231.07820 150.0
[M-H]- 191.10776 144.3
[M+Na-2H]- 213.08971 149.3
[M]+ 192.11449 145.4
[M]- 192.11559 145.4
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