CID 58024816

Methyl 2-(aminomethyl)-1h-1,3-benzodiazole-5-carboxylate dihydrochloride

Structural Information

Molecular Formula
C10H11N3O2
SMILES
COC(=O)C1=CC2=C(C=C1)N=C(N2)CN
InChI
InChI=1S/C10H11N3O2/c1-15-10(14)6-2-3-7-8(4-6)13-9(5-11)12-7/h2-4H,5,11H2,1H3,(H,12,13)
InChIKey
AUEMDNRMEUJMMK-UHFFFAOYSA-N
Compound name
methyl 2-(aminomethyl)-3H-benzimidazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

205.08513 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.092406 142.7
[M+Na]+ 228.074348 152.6
[M-H]- 204.077854 143.7
[M+NH4]+ 223.118953 161.0
[M+K]+ 244.048288 149.0
[M+H-H2O]+ 188.082390 135.7
[M+HCOO]- 250.083331 165.0
[M+CH3COO]- 264.098981 184.3
[M+Na-2H]- 226.059796 148.4
[M]+ 205.08458142 143.7
[M]- 205.08567858 143.7
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