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

104
Patents

128.03343 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.040706 122.2
[M+Na]+ 151.022648 132.6
[M-H]- 127.026154 119.9
[M+NH4]+ 146.067253 140.0
[M+K]+ 166.996588 131.9
[M+H-H2O]+ 111.030690 114.6
[M+HCOO]- 173.031631 142.2
[M+CH3COO]- 187.047281 167.2
[M+Na-2H]- 149.008096 128.4
[M]+ 128.03288142 122.6
[M]- 128.03397858 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