CID 565261

1-vinyl-1,2,4-triazole

Structural Information

Molecular Formula
C4H5N3
SMILES
C=CN1C=NC=N1
InChI
InChI=1S/C4H5N3/c1-2-7-4-5-3-6-7/h2-4H,1H2
InChIKey
ITUNZCVRYICLQM-UHFFFAOYSA-N
Compound name
1-ethenyl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

524
Patents

95.04835 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.055626 115.1
[M+Na]+ 118.03757 124.9
[M-H]- 94.041074 114.8
[M+NH4]+ 113.08217 136.2
[M+K]+ 134.01151 123.9
[M+H-H2O]+ 78.045610 107.7
[M+HCOO]- 140.04655 138.2
[M+CH3COO]- 154.06220 163.9
[M+Na-2H]- 116.02302 123.4
[M]+ 95.047801 114.7
[M]- 95.048899 114.7
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

patents stripe