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]+ 157.072006 132.4
[M+Na]+ 179.053948 141.3
[M-H]- 155.057454 129.8
[M+NH4]+ 174.098553 148.9
[M+K]+ 195.027888 140.7
[M+H-H2O]+ 139.061990 124.8
[M+HCOO]- 201.062931 150.1
[M+CH3COO]- 215.078581 172.4
[M+Na-2H]- 177.039396 139.0
[M]+ 156.06418142 132.6
[M]- 156.06527858 132.6
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.