CID 430989

Benzimidazole-1,2-diamine

Structural Information

Molecular Formula
C7H8N4
SMILES
C1=CC=C2C(=C1)N=C(N2N)N
InChI
InChI=1S/C7H8N4/c8-7-10-5-3-1-2-4-6(5)11(7)9/h1-4H,9H2,(H2,8,10)
InChIKey
JPVWRXBVNNXNND-UHFFFAOYSA-N
Compound name
benzimidazole-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

150
Patents

148.07489 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.082166 125.9
[M+Na]+ 171.064108 137.0
[M-H]- 147.067614 128.2
[M+NH4]+ 166.108713 147.0
[M+K]+ 187.038048 133.6
[M+H-H2O]+ 131.072150 119.0
[M+HCOO]- 193.073091 151.6
[M+CH3COO]- 207.088741 140.4
[M+Na-2H]- 169.049556 134.4
[M]+ 148.07434142 124.7
[M]- 148.07543858 124.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe