CID 14978354

153334-40-8

Structural Information

Molecular Formula
C5H7N3O
SMILES
CC(=O)C1=NN=CN1C
InChI
InChI=1S/C5H7N3O/c1-4(9)5-7-6-3-8(5)2/h3H,1-2H3
InChIKey
PCPJVVIQUZWMED-UHFFFAOYSA-N
Compound name
1-(4-methyl-1,2,4-triazol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

125.058914 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.06619 124.0
[M+Na]+ 148.04813 135.6
[M+NH4]+ 143.09274 131.0
[M+K]+ 164.02207 132.9
[M-H]- 124.05164 123.1
[M+Na-2H]- 146.03358 129.3
[M]+ 125.05837 125.1
[M]- 125.05946 125.1
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.