CID 102469

1-(2-chloropropyl)piperidine

Structural Information

Molecular Formula
C8H16ClN
SMILES
CC(CN1CCCCC1)Cl
InChI
InChI=1S/C8H16ClN/c1-8(9)7-10-5-3-2-4-6-10/h8H,2-7H2,1H3
InChIKey
KFWCHHIRLGAWOS-UHFFFAOYSA-N
Compound name
1-(2-chloropropyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
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 135.8
[M+Na]+ 184.086338 140.9
[M-H]- 160.089844 136.7
[M+NH4]+ 179.130943 155.7
[M+K]+ 200.060278 138.5
[M+H-H2O]+ 144.094380 130.1
[M+HCOO]- 206.095321 149.3
[M+CH3COO]- 220.110971 176.9
[M+Na-2H]- 182.071786 139.8
[M]+ 161.09657142 132.7
[M]- 161.09766858 132.7
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