CID 57804887

Ethyl 5-(methoxymethyl)-1h-1,2,4-triazole-3-carboxylate

Structural Information

Molecular Formula
C7H11N3O3
SMILES
CCOC(=O)C1=NNC(=N1)COC
InChI
InChI=1S/C7H11N3O3/c1-3-13-7(11)6-8-5(4-12-2)9-10-6/h3-4H2,1-2H3,(H,8,9,10)
InChIKey
UOCITRKYCKNSJL-UHFFFAOYSA-N
Compound name
ethyl 5-(methoxymethyl)-1H-1,2,4-triazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

185.08005 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.087326 138.4
[M+Na]+ 208.069268 147.0
[M-H]- 184.072774 136.9
[M+NH4]+ 203.113873 155.3
[M+K]+ 224.043208 146.0
[M+H-H2O]+ 168.077310 130.7
[M+HCOO]- 230.078251 158.7
[M+CH3COO]- 244.093901 177.5
[M+Na-2H]- 206.054716 142.7
[M]+ 185.07950142 141.1
[M]- 185.08059858 141.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe