CID 285124

2-(1h-tetrazol-1-yl)acetamide

Structural Information

Molecular Formula
C3H5N5O
SMILES
C1=NN=NN1CC(=O)N
InChI
InChI=1S/C3H5N5O/c4-3(9)1-8-2-5-6-7-8/h2H,1H2,(H2,4,9)
InChIKey
RICZCZUKMDBBBR-UHFFFAOYSA-N
Compound name
2-(tetrazol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
Patents

127.04941 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.056686 122.5
[M+Na]+ 150.038628 131.6
[M-H]- 126.042134 120.8
[M+NH4]+ 145.083233 140.2
[M+K]+ 166.012568 131.0
[M+H-H2O]+ 110.046670 114.0
[M+HCOO]- 172.047611 144.3
[M+CH3COO]- 186.063261 170.8
[M+Na-2H]- 148.024076 129.5
[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