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

13
Patents

205.08513 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09241 142.7
[M+Na]+ 228.07435 152.6
[M-H]- 204.07785 143.7
[M+NH4]+ 223.11895 161.0
[M+K]+ 244.04829 149.0
[M+H-H2O]+ 188.08239 135.7
[M+HCOO]- 250.08333 165.0
[M+CH3COO]- 264.09898 184.3
[M+Na-2H]- 226.05980 148.4
[M]+ 205.08458 143.7
[M]- 205.08568 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