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

29
Patents

156.06473 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.07201 133.4
[M+Na]+ 179.05395 141.9
[M-H]- 155.05745 129.4
[M+NH4]+ 174.09855 149.1
[M+K]+ 195.02789 140.3
[M+H-H2O]+ 139.06199 126.1
[M+HCOO]- 201.06293 149.6
[M+CH3COO]- 215.07858 169.8
[M+Na-2H]- 177.03940 139.5
[M]+ 156.06418 131.7
[M]- 156.06528 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