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 125.1
[M+Na]+ 167.01756 135.1
[M-H]- 143.02106 121.5
[M+NH4]+ 162.06216 141.4
[M+K]+ 182.99150 133.5
[M+H-H2O]+ 127.02560 117.6
[M+HCOO]- 189.02654 144.0
[M+CH3COO]- 203.04219 166.1
[M+Na-2H]- 165.00301 130.7
[M]+ 144.02779 124.3
[M]- 144.02889 124.3
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