CID 77539036

2-hydroxy-3-(3-hydroxyphenyl)-2-methylpropanoic acid

Structural Information

Molecular Formula
C10H12O4
SMILES
CC(CC1=CC(=CC=C1)O)(C(=O)O)O
InChI
InChI=1S/C10H12O4/c1-10(14,9(12)13)6-7-3-2-4-8(11)5-7/h2-5,11,14H,6H2,1H3,(H,12,13)
InChIKey
DQCFPKHWBJEWFV-UHFFFAOYSA-N
Compound name
2-hydroxy-3-(3-hydroxyphenyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

196.07356 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.080836 141.0
[M+Na]+ 219.062778 147.8
[M-H]- 195.066284 140.8
[M+NH4]+ 214.107383 158.3
[M+K]+ 235.036718 145.5
[M+H-H2O]+ 179.070820 136.3
[M+HCOO]- 241.071761 159.2
[M+CH3COO]- 255.087411 176.3
[M+Na-2H]- 217.048226 146.1
[M]+ 196.07301142 140.0
[M]- 196.07410858 140.0
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