CID 25219063

1-(2-chloroethyl)-2-ethyl-1h-imidazole

Structural Information

Molecular Formula
C7H11ClN2
SMILES
CCC1=NC=CN1CCCl
InChI
InChI=1S/C7H11ClN2/c1-2-7-9-4-6-10(7)5-3-8/h4,6H,2-3,5H2,1H3
InChIKey
OMKBYTGSVLBARA-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-2-ethylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.06108 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06836 131.1
[M+Na]+ 181.05030 144.1
[M+NH4]+ 176.09490 139.9
[M+K]+ 197.02424 138.6
[M-H]- 157.05380 131.9
[M+Na-2H]- 179.03575 137.4
[M]+ 158.06053 133.4
[M]- 158.06163 133.4
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.