CID 84020958

Lithium(1+) ion 2-methyl-2-(1h-1,2,4-triazol-3-yl)propanoate

Structural Information

Molecular Formula
C6H9N3O2
SMILES
CC(C)(C1=NC=NN1)C(=O)O
InChI
InChI=1S/C6H9N3O2/c1-6(2,5(10)11)4-7-3-8-9-4/h3H,1-2H3,(H,10,11)(H,7,8,9)
InChIKey
AOKFVDHIOKNILO-UHFFFAOYSA-N
Compound name
2-methyl-2-(1H-1,2,4-triazol-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.06947 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.07675 133.0
[M+Na]+ 178.05869 141.1
[M-H]- 154.06219 130.3
[M+NH4]+ 173.10329 150.3
[M+K]+ 194.03263 139.5
[M+H-H2O]+ 138.06673 126.4
[M+HCOO]- 200.06767 150.4
[M+CH3COO]- 214.08332 169.7
[M+Na-2H]- 176.04414 138.8
[M]+ 155.06892 131.3
[M]- 155.07002 131.3
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

No patent data available for this compound.