CID 37558

4-amino-n-(1h-tetrazol-5-yl)benzamide

Structural Information

Molecular Formula
C8H8N6O
SMILES
C1=CC(=CC=C1C(=O)NC2=NNN=N2)N
InChI
InChI=1S/C8H8N6O/c9-6-3-1-5(2-4-6)7(15)10-8-11-13-14-12-8/h1-4H,9H2,(H2,10,11,12,13,14,15)
InChIKey
ZIGSKTZSJNCADJ-UHFFFAOYSA-N
Compound name
4-amino-N-(2H-tetrazol-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

204.07596 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.083236 141.5
[M+Na]+ 227.065178 149.5
[M-H]- 203.068684 142.0
[M+NH4]+ 222.109783 155.0
[M+K]+ 243.039118 145.6
[M+H-H2O]+ 187.073220 131.9
[M+HCOO]- 249.074161 162.8
[M+CH3COO]- 263.089811 152.8
[M+Na-2H]- 225.050626 148.1
[M]+ 204.07541142 137.6
[M]- 204.07650858 137.6
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