CID 3010969

1h-1,3-benzodiazole-2,5-diamine

Structural Information

Molecular Formula
C7H8N4
SMILES
C1=CC2=C(C=C1N)NC(=N2)N
InChI
InChI=1S/C7H8N4/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,8H2,(H3,9,10,11)
InChIKey
IFNLHIRHJNDMBM-UHFFFAOYSA-N
Compound name
3H-benzimidazole-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

141
Patents

148.07489 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.082166 126.2
[M+Na]+ 171.064108 136.9
[M-H]- 147.067614 127.2
[M+NH4]+ 166.108713 146.5
[M+K]+ 187.038048 132.6
[M+H-H2O]+ 131.072150 119.6
[M+HCOO]- 193.073091 150.4
[M+CH3COO]- 207.088741 140.0
[M+Na-2H]- 169.049556 134.3
[M]+ 148.07434142 123.2
[M]- 148.07543858 123.2
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