CID 10773683

Methyl 2-amino-3-formylbenzoate

Structural Information

Molecular Formula
C9H9NO3
SMILES
COC(=O)C1=CC=CC(=C1N)C=O
InChI
InChI=1S/C9H9NO3/c1-13-9(12)7-4-2-3-6(5-11)8(7)10/h2-5H,10H2,1H3
InChIKey
HVOMOIOWMLZJCZ-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-formylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

179.05824 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06552 136.2
[M+Na]+ 202.04746 147.7
[M+NH4]+ 197.09206 143.4
[M+K]+ 218.02140 142.9
[M-H]- 178.05096 137.6
[M+Na-2H]- 200.03291 141.8
[M]+ 179.05769 138.0
[M]- 179.05879 138.0
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

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