CID 3054060

N-(4-nitrophenyl)-1h-tetrazole-5-acetamide

Structural Information

Molecular Formula
C9H8N6O3
SMILES
C1=CC(=CC=C1N2C(=NN=N2)CC(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C9H8N6O3/c10-8(16)5-9-11-12-13-14(9)6-1-3-7(4-2-6)15(17)18/h1-4H,5H2,(H2,10,16)
InChIKey
NWGOVEDITYHBTJ-UHFFFAOYSA-N
Compound name
2-[1-(4-nitrophenyl)tetrazol-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.06578 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.07306 147.8
[M+Na]+ 271.05500 159.5
[M+NH4]+ 266.09960 152.6
[M+K]+ 287.02894 160.5
[M-H]- 247.05850 149.3
[M+Na-2H]- 269.04045 153.9
[M]+ 248.06523 149.3
[M]- 248.06633 149.3
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.