CID 2769383

89417-84-5

Structural Information

Molecular Formula
C5H9N3O
SMILES
CCOC1=NNC(=N1)C
InChI
InChI=1S/C5H9N3O/c1-3-9-5-6-4(2)7-8-5/h3H2,1-2H3,(H,6,7,8)
InChIKey
JCBHPAUCBLYNRL-UHFFFAOYSA-N
Compound name
3-ethoxy-5-methyl-1H-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

127.07456 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.08184 125.0
[M+Na]+ 150.06378 136.4
[M+NH4]+ 145.10838 132.1
[M+K]+ 166.03772 133.3
[M-H]- 126.06728 124.0
[M+Na-2H]- 148.04923 130.2
[M]+ 127.07401 126.0
[M]- 127.07511 126.0
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

patents stripe