CID 141128824

2-(5-oxo-2,5-dihydro-1h-1,2,3,4-tetrazol-1-yl)acetic acid

Structural Information

Molecular Formula
C3H4N4O3
SMILES
C(C(=O)O)N1C(=O)NN=N1
InChI
InChI=1S/C3H4N4O3/c8-2(9)1-7-3(10)4-5-6-7/h1H2,(H,8,9)(H,4,6,10)
InChIKey
YDXLUHGBGZSXJF-UHFFFAOYSA-N
Compound name
2-(5-oxo-1H-tetrazol-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

144.02834 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.03562 126.5
[M+Na]+ 167.01756 136.2
[M+NH4]+ 162.06216 130.8
[M+K]+ 182.99150 135.9
[M-H]- 143.02106 122.4
[M+Na-2H]- 165.00301 129.5
[M]+ 144.02779 126.1
[M]- 144.02889 126.1
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