CID 72218192

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

Structural Information

Molecular Formula
C5H8ClN3
SMILES
CCN1C(=CN=N1)CCl
InChI
InChI=1S/C5H8ClN3/c1-2-9-5(3-6)4-7-8-9/h4H,2-3H2,1H3
InChIKey
NBARMCNHMBEJNB-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1-ethyltriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

145.04068 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.047956 126.6
[M+Na]+ 168.029898 137.2
[M-H]- 144.033404 126.1
[M+NH4]+ 163.074503 146.8
[M+K]+ 184.003838 134.5
[M+H-H2O]+ 128.037940 119.3
[M+HCOO]- 190.038881 144.3
[M+CH3COO]- 204.054531 172.8
[M+Na-2H]- 166.015346 133.0
[M]+ 145.04013142 129.1
[M]- 145.04122858 129.1
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

patents stripe