CID 101248

Acetamide, n-1h-tetrazol-5-yl-

Structural Information

Molecular Formula
C3H5N5O
SMILES
CC(=O)NC1=NNN=N1
InChI
InChI=1S/C3H5N5O/c1-2(9)4-3-5-7-8-6-3/h1H3,(H2,4,5,6,7,8,9)
InChIKey
JDVYHWSDERZPMV-UHFFFAOYSA-N
Compound name
N-(2H-tetrazol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

288
Patents

127.04941 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.056686 123.5
[M+Na]+ 150.038628 132.2
[M-H]- 126.042134 120.9
[M+NH4]+ 145.083233 140.8
[M+K]+ 166.012568 131.0
[M+H-H2O]+ 110.046670 115.2
[M+HCOO]- 172.047611 144.4
[M+CH3COO]- 186.063261 168.2
[M+Na-2H]- 148.024076 130.9
[M]+ 127.04886142 121.3
[M]- 127.04995858 121.3
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