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

13
Patents

157.04068 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.047956 136.5
[M+Na]+ 180.029898 148.2
[M-H]- 156.033404 139.6
[M+NH4]+ 175.074503 151.0
[M+K]+ 196.003838 143.6
[M+H-H2O]+ 140.037940 128.0
[M+HCOO]- 202.038881 154.3
[M+CH3COO]- 216.054531 149.3
[M+Na-2H]- 178.015346 141.8
[M]+ 157.04013142 139.9
[M]- 157.04122858 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