CID 63387666

4-(chloromethyl)-1-(propan-2-yl)piperidine hydrochloride

Structural Information

Molecular Formula
C9H18ClN
SMILES
CC(C)N1CCC(CC1)CCl
InChI
InChI=1S/C9H18ClN/c1-8(2)11-5-3-9(7-10)4-6-11/h8-9H,3-7H2,1-2H3
InChIKey
NHZPWYJIMDHORZ-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-1-propan-2-ylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.11278 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.12006 139.9
[M+Na]+ 198.10200 145.6
[M-H]- 174.10550 141.0
[M+NH4]+ 193.14660 159.6
[M+K]+ 214.07594 142.8
[M+H-H2O]+ 158.11004 134.3
[M+HCOO]- 220.11098 153.1
[M+CH3COO]- 234.12663 181.0
[M+Na-2H]- 196.08745 142.6
[M]+ 175.11223 137.5
[M]- 175.11333 137.5
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

No patent data available for this compound.