CID 22056978

Dl-4-hydroxyphenyllactic acid hydrate

Structural Information

Molecular Formula
C9H10O4
SMILES
CC(C1=CC=C(C=C1)O)(C(=O)O)O
InChI
InChI=1S/C9H10O4/c1-9(13,8(11)12)6-2-4-7(10)5-3-6/h2-5,10,13H,1H3,(H,11,12)
InChIKey
HXIPUYVSSGKLFF-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(4-hydroxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

550
Patents

182.0579 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06518 136.3
[M+Na]+ 205.04712 143.6
[M-H]- 181.05062 136.4
[M+NH4]+ 200.09172 154.2
[M+K]+ 221.02106 141.5
[M+H-H2O]+ 165.05516 131.8
[M+HCOO]- 227.05610 154.9
[M+CH3COO]- 241.07175 173.3
[M+Na-2H]- 203.03257 142.0
[M]+ 182.05735 135.0
[M]- 182.05845 135.0
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