CID 126973353

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

Structural Information

Molecular Formula
C6H8ClN3
SMILES
C1CC1N2C=C(N=N2)CCl
InChI
InChI=1S/C6H8ClN3/c7-3-5-4-10(9-8-5)6-1-2-6/h4,6H,1-3H2
InChIKey
GBFJKICHUCJUDY-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-1-cyclopropyltriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

157.04068 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.04796 136.5
[M+Na]+ 180.02990 148.2
[M-H]- 156.03340 139.6
[M+NH4]+ 175.07450 151.0
[M+K]+ 196.00384 143.6
[M+H-H2O]+ 140.03794 128.0
[M+HCOO]- 202.03888 154.3
[M+CH3COO]- 216.05453 149.3
[M+Na-2H]- 178.01535 141.8
[M]+ 157.04013 139.9
[M]- 157.04123 139.9
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