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]+ 205.08324 141.5
[M+Na]+ 227.06518 149.5
[M-H]- 203.06868 142.0
[M+NH4]+ 222.10978 155.0
[M+K]+ 243.03912 145.6
[M+H-H2O]+ 187.07322 131.9
[M+HCOO]- 249.07416 162.8
[M+CH3COO]- 263.08981 152.8
[M+Na-2H]- 225.05063 148.1
[M]+ 204.07541 137.6
[M]- 204.07651 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