CID 91

3-(3-hydroxyphenyl)propanoic acid

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

62
References

1218
Patents

166.06299 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07027 133.8
[M+Na]+ 189.05221 145.4
[M+NH4]+ 184.09681 141.2
[M+K]+ 205.02615 140.4
[M-H]- 165.05571 134.2
[M+Na-2H]- 187.03766 139.3
[M]+ 166.06244 135.3
[M]- 166.06354 135.3
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