CID 12097753

Methyl 3,4-diamino-2-methoxybenzoate

Structural Information

Molecular Formula
C9H12N2O3
SMILES
COC1=C(C=CC(=C1N)N)C(=O)OC
InChI
InChI=1S/C9H12N2O3/c1-13-8-5(9(12)14-2)3-4-6(10)7(8)11/h3-4H,10-11H2,1-2H3
InChIKey
RWEQERJJDQFUDV-UHFFFAOYSA-N
Compound name
methyl 3,4-diamino-2-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

196.0848 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 140.8
[M+Na]+ 219.07402 149.2
[M-H]- 195.07752 144.4
[M+NH4]+ 214.11862 159.7
[M+K]+ 235.04796 148.1
[M+H-H2O]+ 179.08206 134.6
[M+HCOO]- 241.08300 166.0
[M+CH3COO]- 255.09865 189.1
[M+Na-2H]- 217.05947 144.0
[M]+ 196.08425 141.2
[M]- 196.08535 141.2
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