CID 122501466

Methyl 3,4-diamino-5-methoxybenzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

196.0848 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.092076 140.8
[M+Na]+ 219.074018 149.2
[M-H]- 195.077524 144.4
[M+NH4]+ 214.118623 159.7
[M+K]+ 235.047958 148.1
[M+H-H2O]+ 179.082060 134.6
[M+HCOO]- 241.083001 166.0
[M+CH3COO]- 255.098651 189.1
[M+Na-2H]- 217.059466 144.0
[M]+ 196.08425142 141.2
[M]- 196.08534858 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