CID 112026

1-(2-chloroethyl)-3-methylpiperidine

Structural Information

Molecular Formula
C8H16ClN
SMILES
CC1CCCN(C1)CCCl
InChI
InChI=1S/C8H16ClN/c1-8-3-2-5-10(7-8)6-4-9/h8H,2-7H2,1H3
InChIKey
ZMTCYZCFHILUTI-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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

No literature data available for this compound.

Patent stripe

patents stripe