CID 11147674

4114-43-6

Structural Information

Molecular Formula
C3H5N3O
SMILES
CN1C=NNC1=O
InChI
InChI=1S/C3H5N3O/c1-6-2-4-5-3(6)7/h2H,1H3,(H,5,7)
InChIKey
LCIMTQHLKRQXAS-UHFFFAOYSA-N
Compound name
4-methyl-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

99.04326 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.05054 116.0
[M+Na]+ 122.03248 127.8
[M+NH4]+ 117.07708 123.1
[M+K]+ 138.00642 125.0
[M-H]- 98.035984 114.7
[M+Na-2H]- 120.01793 121.5
[M]+ 99.042711 117.0
[M]- 99.043809 117.0
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