CID 58213211

Methyl 2-amino-5-methyl-3-nitrobenzoate

Structural Information

Molecular Formula
C9H10N2O4
SMILES
CC1=CC(=C(C(=C1)[N+](=O)[O-])N)C(=O)OC
InChI
InChI=1S/C9H10N2O4/c1-5-3-6(9(12)15-2)8(10)7(4-5)11(13)14/h3-4H,10H2,1-2H3
InChIKey
BMVWWCPPMDIQTE-UHFFFAOYSA-N
Compound name
methyl 2-amino-5-methyl-3-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

210.06406 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07134 142.0
[M+Na]+ 233.05328 153.8
[M+NH4]+ 228.09788 148.8
[M+K]+ 249.02722 152.3
[M-H]- 209.05678 144.6
[M+Na-2H]- 231.03873 146.7
[M]+ 210.06351 144.0
[M]- 210.06461 144.0
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