CID 12446853

2-(3-hydroxyphenyl)propanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

20
References

424
Patents

166.06299 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.070266 133.2
[M+Na]+ 189.052208 140.3
[M-H]- 165.055714 134.5
[M+NH4]+ 184.096813 152.3
[M+K]+ 205.026148 138.6
[M+H-H2O]+ 149.060250 128.1
[M+HCOO]- 211.061191 153.6
[M+CH3COO]- 225.076841 174.2
[M+Na-2H]- 187.037656 137.2
[M]+ 166.06244142 132.0
[M]- 166.06353858 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