CID 53261193

2-methyl-2-(1h-1,2,3,4-tetrazol-5-yl)propanoic acid

Structural Information

Molecular Formula
C5H8N4O2
SMILES
CC(C)(C1=NNN=N1)C(=O)O
InChI
InChI=1S/C5H8N4O2/c1-5(2,4(10)11)3-6-8-9-7-3/h1-2H3,(H,10,11)(H,6,7,8,9)
InChIKey
MINPAAYUJLDDTK-UHFFFAOYSA-N
Compound name
2-methyl-2-(2H-tetrazol-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

156.06473 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.072006 133.4
[M+Na]+ 179.053948 141.9
[M-H]- 155.057454 129.4
[M+NH4]+ 174.098553 149.1
[M+K]+ 195.027888 140.3
[M+H-H2O]+ 139.061990 126.1
[M+HCOO]- 201.062931 149.6
[M+CH3COO]- 215.078581 169.8
[M+Na-2H]- 177.039396 139.5
[M]+ 156.06418142 131.7
[M]- 156.06527858 131.7
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