CID 74827

1-(2-chloroethyl)piperidine

Structural Information

Molecular Formula
C7H14ClN
SMILES
C1CCN(CC1)CCCl
InChI
InChI=1S/C7H14ClN/c8-4-7-9-5-2-1-3-6-9/h1-7H2
InChIKey
WNRWEBKEQARBKV-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

5188
Patents

147.08148 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.08876 131.2
[M+Na]+ 170.07070 136.9
[M-H]- 146.07420 132.1
[M+NH4]+ 165.11530 151.7
[M+K]+ 186.04464 134.3
[M+H-H2O]+ 130.07874 125.5
[M+HCOO]- 192.07968 146.0
[M+CH3COO]- 206.09533 173.1
[M+Na-2H]- 168.05615 136.9
[M]+ 147.08093 128.2
[M]- 147.08203 128.2
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