CID 95788

2-hydrazinyl-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C7H8N4
SMILES
C1=CC=C2C(=C1)NC(=N2)NN
InChI
InChI=1S/C7H8N4/c8-11-7-9-5-3-1-2-4-6(5)10-7/h1-4H,8H2,(H2,9,10,11)
InChIKey
PXUYWNZBZXDJEU-UHFFFAOYSA-N
Compound name
1H-benzimidazol-2-ylhydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

168
Patents

148.07489 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.082166 125.0
[M+Na]+ 171.064108 134.6
[M-H]- 147.067614 126.0
[M+NH4]+ 166.108713 145.2
[M+K]+ 187.038048 130.7
[M+H-H2O]+ 131.072150 118.0
[M+HCOO]- 193.073091 149.8
[M+CH3COO]- 207.088741 138.7
[M+Na-2H]- 169.049556 134.9
[M]+ 148.07434142 122.5
[M]- 148.07543858 122.5
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