CID 95222

3-hydroxy-4-methylanthranilate

Structural Information

Molecular Formula
C8H9NO3
SMILES
CC1=C(C(=C(C=C1)C(=O)O)N)O
InChI
InChI=1S/C8H9NO3/c1-4-2-3-5(8(11)12)6(9)7(4)10/h2-3,10H,9H2,1H3,(H,11,12)
InChIKey
OYZONAXDAWHDMN-UHFFFAOYSA-N
Compound name
2-amino-3-hydroxy-4-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

62
Patents

167.05824 Da
Monoisotopic Mass

1.3
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

literature stripe

Patent stripe

patents stripe