CID 13874409

3-amino-5-methoxybenzoic acid

Structural Information

Molecular Formula
C8H9NO3
SMILES
COC1=CC(=CC(=C1)N)C(=O)O
InChI
InChI=1S/C8H9NO3/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4H,9H2,1H3,(H,10,11)
InChIKey
DBEMTZANGFGKMX-UHFFFAOYSA-N
Compound name
3-amino-5-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

358
Patents

167.05824 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 132.1
[M+Na]+ 190.04746 140.4
[M-H]- 166.05096 134.7
[M+NH4]+ 185.09206 151.7
[M+K]+ 206.02140 138.9
[M+H-H2O]+ 150.05550 126.6
[M+HCOO]- 212.05644 155.8
[M+CH3COO]- 226.07209 178.4
[M+Na-2H]- 188.03291 136.9
[M]+ 167.05769 131.8
[M]- 167.05879 131.8
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