CID 323194

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

Structural Information

Molecular Formula
C3H4N4O2
SMILES
CN1N=C(N=N1)C(=O)O
InChI
InChI=1S/C3H4N4O2/c1-7-5-2(3(8)9)4-6-7/h1H3,(H,8,9)
InChIKey
VQHZPBXUOJDGTE-UHFFFAOYSA-N
Compound name
2-methyltetrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

128.03343 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.04071 122.2
[M+Na]+ 151.02265 132.6
[M-H]- 127.02615 119.9
[M+NH4]+ 146.06725 140.0
[M+K]+ 166.99659 131.9
[M+H-H2O]+ 111.03069 114.6
[M+HCOO]- 173.03163 142.2
[M+CH3COO]- 187.04728 167.2
[M+Na-2H]- 149.00810 128.4
[M]+ 128.03288 122.6
[M]- 128.03398 122.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe