CID 22949998

2-hydroxy-3-phenylbutanoic acid

Structural Information

Molecular Formula
C10H12O3
SMILES
CC(C1=CC=CC=C1)C(C(=O)O)O
InChI
InChI=1S/C10H12O3/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7,9,11H,1H3,(H,12,13)
InChIKey
QLCVGHRWKIOGCM-UHFFFAOYSA-N
Compound name
2-hydroxy-3-phenylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

180.07864 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.085916 138.7
[M+Na]+ 203.067858 144.2
[M-H]- 179.071364 139.4
[M+NH4]+ 198.112463 156.9
[M+K]+ 219.041798 142.7
[M+H-H2O]+ 163.075900 133.2
[M+HCOO]- 225.076841 157.8
[M+CH3COO]- 239.092491 177.0
[M+Na-2H]- 201.053306 141.6
[M]+ 180.07809142 136.9
[M]- 180.07918858 136.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe