CID 10419219

104256-69-1

Structural Information

Molecular Formula
C4H6ClN3
SMILES
CN1C(=NC=N1)CCl
InChI
InChI=1S/C4H6ClN3/c1-8-4(2-5)6-3-7-8/h3H,2H2,1H3
InChIKey
FRSUDGCEBGTNAB-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1-methyl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

258
Patents

131.02502 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.03230 121.8
[M+Na]+ 154.01424 135.2
[M+NH4]+ 149.05884 130.2
[M+K]+ 169.98818 130.6
[M-H]- 130.01774 121.9
[M+Na-2H]- 151.99969 128.5
[M]+ 131.02447 123.9
[M]- 131.02557 123.9
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