CID 323198

Nsc631445

Structural Information

Molecular Formula
C2H3N5O
SMILES
C1(=NNN=N1)C(=O)N
InChI
InChI=1S/C2H3N5O/c3-1(8)2-4-6-7-5-2/h(H2,3,8)(H,4,5,6,7)
InChIKey
FLABMTVDNODXQV-UHFFFAOYSA-N
Compound name
2H-tetrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

1163
Patents

113.03376 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.04104 118.9
[M+Na]+ 136.02298 128.0
[M-H]- 112.02648 116.0
[M+NH4]+ 131.06758 136.4
[M+K]+ 151.99692 126.7
[M+H-H2O]+ 96.031020 110.8
[M+HCOO]- 158.03196 139.5
[M+CH3COO]- 172.04761 165.2
[M+Na-2H]- 134.00843 125.9
[M]+ 113.03321 115.5
[M]- 113.03431 115.5
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