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]+ 212.10297 142.7
[M+Na]+ 234.08491 149.1
[M-H]- 210.08841 144.8
[M+NH4]+ 229.12951 152.5
[M+K]+ 250.05885 151.8
[M+H-H2O]+ 194.09295 130.7
[M+HCOO]- 256.09389 159.6
[M+CH3COO]- 270.10954 185.3
[M+Na-2H]- 232.07036 147.3
[M]+ 211.09514 152.8
[M]- 211.09624 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.