CID 14978352

153334-38-4

Structural Information

Molecular Formula
C5H7N3O
SMILES
CC(=O)C1=NN(C=N1)C
InChI
InChI=1S/C5H7N3O/c1-4(9)5-6-3-8(2)7-5/h3H,1-2H3
InChIKey
KVMDXWVXQJPFLR-UHFFFAOYSA-N
Compound name
1-(1-methyl-1,2,4-triazol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

125.058914 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.06619 122.6
[M+Na]+ 148.04813 132.7
[M-H]- 124.05164 122.8
[M+NH4]+ 143.09274 142.8
[M+K]+ 164.02207 132.2
[M+H-H2O]+ 108.05617 115.5
[M+HCOO]- 170.05712 144.7
[M+CH3COO]- 184.07276 170.7
[M+Na-2H]- 146.03358 128.5
[M]+ 125.05837 123.8
[M]- 125.05946 123.8
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