CID 63382492

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

Structural Information

Molecular Formula
C8H13N3O3
SMILES
CCOC(=O)C1=NN(C(=N1)COC)C
InChI
InChI=1S/C8H13N3O3/c1-4-14-8(12)7-9-6(5-13-3)11(2)10-7/h4-5H2,1-3H3
InChIKey
FBFVTWINAVPMHE-UHFFFAOYSA-N
Compound name
ethyl 5-(methoxymethyl)-1-methyl-1,2,4-triazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.09569 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.10297 141.8
[M+Na]+ 222.08491 151.3
[M-H]- 198.08841 141.9
[M+NH4]+ 217.12951 159.2
[M+K]+ 238.05885 151.0
[M+H-H2O]+ 182.09295 134.1
[M+HCOO]- 244.09389 163.3
[M+CH3COO]- 258.10954 184.3
[M+Na-2H]- 220.07036 145.4
[M]+ 199.09514 147.2
[M]- 199.09624 147.2
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

No patent data available for this compound.