CID 3016566

2-(2-chloroethyl)-1-methylpiperidine

Structural Information

Molecular Formula
C8H16ClN
SMILES
CN1CCCCC1CCCl
InChI
InChI=1S/C8H16ClN/c1-10-7-3-2-4-8(10)5-6-9/h8H,2-7H2,1H3
InChIKey
UMYMWCKSANKFPI-UHFFFAOYSA-N
Compound name
2-(2-chloroethyl)-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

161.09712 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.104396 135.4
[M+Na]+ 184.086338 141.7
[M-H]- 160.089844 136.5
[M+NH4]+ 179.130943 155.7
[M+K]+ 200.060278 138.8
[M+H-H2O]+ 144.094380 129.8
[M+HCOO]- 206.095321 149.9
[M+CH3COO]- 220.110971 177.1
[M+Na-2H]- 182.071786 139.9
[M]+ 161.09657142 133.2
[M]- 161.09766858 133.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe