CID 21649183

2-(3-ethylphenyl)acetic acid

Structural Information

Molecular Formula
C10H12O2
SMILES
CCC1=CC(=CC=C1)CC(=O)O
InChI
InChI=1S/C10H12O2/c1-2-8-4-3-5-9(6-8)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
InChIKey
GJMPAFQIQOEENG-UHFFFAOYSA-N
Compound name
2-(3-ethylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
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

No literature data available for this compound.

Patent stripe

patents stripe