CID 11469398

2-(4-acetylphenyl)acetic acid

Structural Information

Molecular Formula
C10H10O3
SMILES
CC(=O)C1=CC=C(C=C1)CC(=O)O
InChI
InChI=1S/C10H10O3/c1-7(11)9-4-2-8(3-5-9)6-10(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKey
DQGDHZGCMKDNRW-UHFFFAOYSA-N
Compound name
2-(4-acetylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

160
Patents

178.06299 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.070266 135.6
[M+Na]+ 201.052208 143.0
[M-H]- 177.055714 138.1
[M+NH4]+ 196.096813 154.9
[M+K]+ 217.026148 141.4
[M+H-H2O]+ 161.060250 130.2
[M+HCOO]- 223.061191 157.4
[M+CH3COO]- 237.076841 178.9
[M+Na-2H]- 199.037656 139.7
[M]+ 178.06244142 136.0
[M]- 178.06353858 136.0
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