CID 55211891

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

145.04068 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.04796 126.6
[M+Na]+ 168.02990 137.2
[M-H]- 144.03340 126.1
[M+NH4]+ 163.07450 146.8
[M+K]+ 184.00384 134.5
[M+H-H2O]+ 128.03794 119.3
[M+HCOO]- 190.03888 144.3
[M+CH3COO]- 204.05453 172.8
[M+Na-2H]- 166.01535 133.0
[M]+ 145.04013 129.1
[M]- 145.04123 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