CID 71757857

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

Structural Information

Molecular Formula
C6H8ClN3
SMILES
C1CC1C2=NNC(=N2)CCl
InChI
InChI=1S/C6H8ClN3/c7-3-5-8-6(10-9-5)4-1-2-4/h4H,1-3H2,(H,8,9,10)
InChIKey
TYKCWQQWRUPLGH-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-3-cyclopropyl-1H-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.04068 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.04796 135.4
[M+Na]+ 180.02990 146.8
[M-H]- 156.03340 137.3
[M+NH4]+ 175.07450 149.3
[M+K]+ 196.00384 141.3
[M+H-H2O]+ 140.03794 127.4
[M+HCOO]- 202.03888 151.9
[M+CH3COO]- 216.05453 147.7
[M+Na-2H]- 178.01535 140.5
[M]+ 157.04013 137.1
[M]- 157.04123 137.1
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.