CID 103674

3-(chloromethyl)-1-methylpiperidine

Structural Information

Molecular Formula
C7H14ClN
SMILES
CN1CCCC(C1)CCl
InChI
InChI=1S/C7H14ClN/c1-9-4-2-3-7(5-8)6-9/h7H,2-6H2,1H3
InChIKey
FFOIFAAVWJZLFE-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

369
Patents

147.08148 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.08876 130.8
[M+Na]+ 170.07070 137.5
[M-H]- 146.07420 132.1
[M+NH4]+ 165.11530 151.7
[M+K]+ 186.04464 134.9
[M+H-H2O]+ 130.07874 125.4
[M+HCOO]- 192.07968 145.6
[M+CH3COO]- 206.09533 174.1
[M+Na-2H]- 168.05615 135.8
[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