CID 1303

2-hydroxy-2-phenylpropanoic acid

Structural Information

Molecular Formula
C9H10O3
SMILES
CC(C1=CC=CC=C1)(C(=O)O)O
InChI
InChI=1S/C9H10O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,10,11)
InChIKey
NWCHELUCVWSRRS-UHFFFAOYSA-N
Compound name
2-hydroxy-2-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

53
References

6612
Patents

166.06299 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07027 133.4
[M+Na]+ 189.05221 140.3
[M-H]- 165.05571 134.5
[M+NH4]+ 184.09681 152.4
[M+K]+ 205.02615 138.5
[M+H-H2O]+ 149.06025 128.7
[M+HCOO]- 211.06119 153.3
[M+CH3COO]- 225.07684 172.4
[M+Na-2H]- 187.03766 140.1
[M]+ 166.06244 132.0
[M]- 166.06354 132.0
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