CID 2114009

4-(1h-tetrazol-1-yl)benzohydrazide

Structural Information

Molecular Formula
C8H8N6O
SMILES
C1=CC(=CC=C1C(=O)NN)N2C=NN=N2
InChI
InChI=1S/C8H8N6O/c9-11-8(15)6-1-3-7(4-2-6)14-5-10-12-13-14/h1-5H,9H2,(H,11,15)
InChIKey
DCSLVGSOXWLBCY-UHFFFAOYSA-N
Compound name
4-(tetrazol-1-yl)benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

204.07596 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.083236 141.2
[M+Na]+ 227.065178 149.6
[M-H]- 203.068684 143.1
[M+NH4]+ 222.109783 155.4
[M+K]+ 243.039118 146.6
[M+H-H2O]+ 187.073220 131.3
[M+HCOO]- 249.074161 164.0
[M+CH3COO]- 263.089811 153.2
[M+Na-2H]- 225.050626 148.2
[M]+ 204.07541142 139.1
[M]- 204.07650858 139.1
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

No patent data available for this compound.