CID 130646897

5-(1-chloroethyl)-3-cyclopropyl-1h-1,2,4-triazole hydrochloride

Structural Information

Molecular Formula
C7H10ClN3
SMILES
CC(C1=NNC(=N1)C2CC2)Cl
InChI
InChI=1S/C7H10ClN3/c1-4(8)6-9-7(11-10-6)5-2-3-5/h4-5H,2-3H2,1H3,(H,9,10,11)
InChIKey
JJVFIYQGRCLJFG-UHFFFAOYSA-N
Compound name
3-(1-chloroethyl)-5-cyclopropyl-1H-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.05632 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.063596 138.9
[M+Na]+ 194.045538 149.6
[M-H]- 170.049044 140.8
[M+NH4]+ 189.090143 152.3
[M+K]+ 210.019478 144.2
[M+H-H2O]+ 154.053580 130.9
[M+HCOO]- 216.054521 154.3
[M+CH3COO]- 230.070171 150.8
[M+Na-2H]- 192.030986 142.5
[M]+ 171.05577142 140.5
[M]- 171.05686858 140.5
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

No patent data available for this compound.