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

203
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

literature stripe

Patent stripe

patents stripe