CID 4102024

42784-25-8

Structural Information

Molecular Formula
C9H9N3O2
SMILES
COC(=O)N1C2=CC=CC=C2N=C1N
InChI
InChI=1S/C9H9N3O2/c1-14-9(13)12-7-5-3-2-4-6(7)11-8(12)10/h2-5H,1H3,(H2,10,11)
InChIKey
VAFDULVVVLBXSQ-UHFFFAOYSA-N
Compound name
methyl 2-aminobenzimidazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

191.06947 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.076746 137.9
[M+Na]+ 214.058688 148.7
[M-H]- 190.062194 140.5
[M+NH4]+ 209.103293 157.6
[M+K]+ 230.032628 146.3
[M+H-H2O]+ 174.066730 130.8
[M+HCOO]- 236.067671 162.1
[M+CH3COO]- 250.083321 183.1
[M+Na-2H]- 212.044136 144.5
[M]+ 191.06892142 140.3
[M]- 191.07001858 140.3
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