CID 17846679

2-(2-ethylphenyl)acetic acid

Structural Information

Molecular Formula
C10H12O2
SMILES
CCC1=CC=CC=C1CC(=O)O
InChI
InChI=1S/C10H12O2/c1-2-8-5-3-4-6-9(8)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
InChIKey
IDWCPOOBGCOZAY-UHFFFAOYSA-N
Compound name
2-(2-ethylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

365
Patents

164.08372 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 133.9
[M+Na]+ 187.07294 141.4
[M-H]- 163.07644 136.4
[M+NH4]+ 182.11754 154.0
[M+K]+ 203.04688 139.3
[M+H-H2O]+ 147.08098 128.6
[M+HCOO]- 209.08192 156.3
[M+CH3COO]- 223.09757 176.8
[M+Na-2H]- 185.05839 139.2
[M]+ 164.08317 134.2
[M]- 164.08427 134.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe