CID 11804706

1-(2h-tetrazol-5-yl)ethanone

Structural Information

Molecular Formula
C3H4N4O
SMILES
CC(=O)C1=NNN=N1
InChI
InChI=1S/C3H4N4O/c1-2(8)3-4-6-7-5-3/h1H3,(H,4,5,6,7)
InChIKey
DDXGDNQWHFIGGG-UHFFFAOYSA-N
Compound name
1-(2H-tetrazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

112.03851 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.04579 120.0
[M+Na]+ 135.02773 130.8
[M+NH4]+ 130.07233 126.1
[M+K]+ 151.00167 129.0
[M-H]- 111.03123 117.6
[M+Na-2H]- 133.01318 125.0
[M]+ 112.03796 120.4
[M]- 112.03906 120.4
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