CID 20040385

3-amino-4-hydroxy-2-methylbenzoic acid

Structural Information

Molecular Formula
C8H9NO3
SMILES
CC1=C(C=CC(=C1N)O)C(=O)O
InChI
InChI=1S/C8H9NO3/c1-4-5(8(11)12)2-3-6(10)7(4)9/h2-3,10H,9H2,1H3,(H,11,12)
InChIKey
GNNLLYYDPKHKBP-UHFFFAOYSA-N
Compound name
3-amino-4-hydroxy-2-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

167.05824 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.065516 132.5
[M+Na]+ 190.047458 141.3
[M-H]- 166.050964 134.0
[M+NH4]+ 185.092063 151.6
[M+K]+ 206.021398 139.0
[M+H-H2O]+ 150.055500 127.5
[M+HCOO]- 212.056441 154.6
[M+CH3COO]- 226.072091 177.2
[M+Na-2H]- 188.032906 136.0
[M]+ 167.05769142 130.6
[M]- 167.05878858 130.6
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