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

13
Patents

167.05824 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 132.5
[M+Na]+ 190.04746 141.3
[M-H]- 166.05096 134.0
[M+NH4]+ 185.09206 151.6
[M+K]+ 206.02140 139.0
[M+H-H2O]+ 150.05550 127.5
[M+HCOO]- 212.05644 154.6
[M+CH3COO]- 226.07209 177.2
[M+Na-2H]- 188.03291 136.0
[M]+ 167.05769 130.6
[M]- 167.05879 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