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]+ 186.08733 139.7
[M+Na]+ 208.06927 149.4
[M+NH4]+ 203.11387 144.8
[M+K]+ 224.04321 147.6
[M-H]- 184.07277 137.1
[M+Na-2H]- 206.05472 142.9
[M]+ 185.07950 139.8
[M]- 185.08060 139.8
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

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