CID 287322

2-hydroxy-2-phenylbutanoic acid

Structural Information

Molecular Formula
C10H12O3
SMILES
CCC(C1=CC=CC=C1)(C(=O)O)O
InChI
InChI=1S/C10H12O3/c1-2-10(13,9(11)12)8-6-4-3-5-7-8/h3-7,13H,2H2,1H3,(H,11,12)
InChIKey
QYCBZFRDGXIZIP-UHFFFAOYSA-N
Compound name
2-hydroxy-2-phenylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

332
Patents

180.07864 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.085916 138.1
[M+Na]+ 203.067858 144.6
[M-H]- 179.071364 139.0
[M+NH4]+ 198.112463 156.5
[M+K]+ 219.041798 142.5
[M+H-H2O]+ 163.075900 133.1
[M+HCOO]- 225.076841 157.6
[M+CH3COO]- 239.092491 175.4
[M+Na-2H]- 201.053306 144.3
[M]+ 180.07809142 137.1
[M]- 180.07918858 137.1
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