CID 15015452

4-(chloromethyl)-1-methylpiperidine hydrochloride

Structural Information

Molecular Formula
C7H14ClN
SMILES
CN1CCC(CC1)CCl
InChI
InChI=1S/C7H14ClN/c1-9-4-2-7(6-8)3-5-9/h7H,2-6H2,1H3
InChIKey
VBEKWUXPAUHYGX-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
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

No literature data available for this compound.

Patent stripe

patents stripe