CID 438294

2h-1,2,3,4-tetrazole-5-carboxylic acid

Structural Information

Molecular Formula
C2H2N4O2
SMILES
C1(=NNN=N1)C(=O)O
InChI
InChI=1S/C2H2N4O2/c7-2(8)1-3-5-6-4-1/h(H,7,8)(H,3,4,5,6)
InChIKey
IKNZBNHVVQIRTO-UHFFFAOYSA-N
Compound name
2H-tetrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

643
Patents

114.01778 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.02506 118.7
[M+Na]+ 137.00700 128.1
[M-H]- 113.01050 114.8
[M+NH4]+ 132.05160 135.9
[M+K]+ 152.98094 126.8
[M+H-H2O]+ 97.015040 111.1
[M+HCOO]- 159.01598 137.5
[M+CH3COO]- 173.03163 160.6
[M+Na-2H]- 134.99245 125.6
[M]+ 114.01723 116.5
[M]- 114.01833 116.5
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