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 142.5
[M+Na]+ 215.10426 149.7
[M-H]- 191.10776 145.0
[M+NH4]+ 210.14886 161.7
[M+K]+ 231.07820 147.5
[M+H-H2O]+ 175.11230 137.5
[M+HCOO]- 237.11324 162.8
[M+CH3COO]- 251.12889 183.2
[M+Na-2H]- 213.08971 147.6
[M]+ 192.11449 143.2
[M]- 192.11559 143.2
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