CID 23462227

1803586-11-9

Structural Information

Molecular Formula
C6H10ClN3
SMILES
CC(C)C1=NNC(=N1)CCl
InChI
InChI=1S/C6H10ClN3/c1-4(2)6-8-5(3-7)9-10-6/h4H,3H2,1-2H3,(H,8,9,10)
InChIKey
BPHZPMQSKBGUSD-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-3-propan-2-yl-1H-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

159.05632 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.06360 132.0
[M+Na]+ 182.04554 141.6
[M-H]- 158.04904 130.3
[M+NH4]+ 177.09014 150.9
[M+K]+ 198.01948 138.1
[M+H-H2O]+ 142.05358 125.1
[M+HCOO]- 204.05452 147.0
[M+CH3COO]- 218.07017 173.9
[M+Na-2H]- 180.03099 136.3
[M]+ 159.05577 132.5
[M]- 159.05687 132.5
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