CID 569479

N-(1h-tetrazol-5-yl)benzamide

Structural Information

Molecular Formula
C8H7N5O
SMILES
C1=CC=C(C=C1)C(=O)NC2=NNN=N2
InChI
InChI=1S/C8H7N5O/c14-7(6-4-2-1-3-5-6)9-8-10-12-13-11-8/h1-5H,(H2,9,10,11,12,13,14)
InChIKey
PLTCINJSRCMVPL-UHFFFAOYSA-N
Compound name
N-(2H-tetrazol-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

233
Patents

189.06506 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.07234 137.9
[M+Na]+ 212.05428 145.7
[M-H]- 188.05778 138.3
[M+NH4]+ 207.09888 152.2
[M+K]+ 228.02822 142.3
[M+H-H2O]+ 172.06232 128.2
[M+HCOO]- 234.06326 158.7
[M+CH3COO]- 248.07891 149.5
[M+Na-2H]- 210.03973 145.5
[M]+ 189.06451 135.1
[M]- 189.06561 135.1
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

No patent data available for this compound.