CID 10394

3-(4-hydroxyphenyl)propionic acid

Structural Information

Molecular Formula
C9H10O3
SMILES
C1=CC(=CC=C1CCC(=O)O)O
InChI
InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)
InChIKey
NMHMNPHRMNGLLB-UHFFFAOYSA-N
Compound name
3-(4-hydroxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

115
References

49992
Patents

166.06299 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07027 133.1
[M+Na]+ 189.05221 140.5
[M-H]- 165.05571 134.3
[M+NH4]+ 184.09681 152.3
[M+K]+ 205.02615 138.3
[M+H-H2O]+ 149.06025 127.9
[M+HCOO]- 211.06119 154.5
[M+CH3COO]- 225.07684 173.3
[M+Na-2H]- 187.03766 138.4
[M]+ 166.06244 132.6
[M]- 166.06354 132.6
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