CID 6484163

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

Structural Information

Molecular Formula
C5H8N4O2
SMILES
CC(C)(C(=O)O)N1C=NN=N1
InChI
InChI=1S/C5H8N4O2/c1-5(2,4(10)11)9-3-6-7-8-9/h3H,1-2H3,(H,10,11)
InChIKey
JEKIHOYITFILHU-UHFFFAOYSA-N
Compound name
2-methyl-2-(tetrazol-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 131.1
[M+Na]+ 179.05395 140.7
[M+NH4]+ 174.09855 136.1
[M+K]+ 195.02789 140.3
[M-H]- 155.05745 127.6
[M+Na-2H]- 177.03940 135.1
[M]+ 156.06418 131.0
[M]- 156.06528 131.0
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

No patent data available for this compound.