CID 121553252

1-[(3-ethyloxetan-3-yl)methyl]-1h-1,2,3-triazole-4-carboxylic acid

Structural Information

Molecular Formula
C9H13N3O3
SMILES
CCC1(COC1)CN2C=C(N=N2)C(=O)O
InChI
InChI=1S/C9H13N3O3/c1-2-9(5-15-6-9)4-12-3-7(8(13)14)10-11-12/h3H,2,4-6H2,1H3,(H,13,14)
InChIKey
JHVNFFKXOIZRBL-UHFFFAOYSA-N
Compound name
1-[(3-ethyloxetan-3-yl)methyl]triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.09569 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.102966 142.7
[M+Na]+ 234.084908 149.1
[M-H]- 210.088414 144.8
[M+NH4]+ 229.129513 152.5
[M+K]+ 250.058848 151.8
[M+H-H2O]+ 194.092950 130.7
[M+HCOO]- 256.093891 159.6
[M+CH3COO]- 270.109541 185.3
[M+Na-2H]- 232.070356 147.3
[M]+ 211.09514142 152.8
[M]- 211.09623858 152.8
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.