CID 61289128

Methyl 1-(3-chloropropyl)piperidine-4-carboxylate hydrochloride

Structural Information

Molecular Formula
C10H18ClNO2
SMILES
COC(=O)C1CCN(CC1)CCCCl
InChI
InChI=1S/C10H18ClNO2/c1-14-10(13)9-3-7-12(8-4-9)6-2-5-11/h9H,2-8H2,1H3
InChIKey
KTAGDBPLWSDTAC-UHFFFAOYSA-N
Compound name
methyl 1-(3-chloropropyl)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.1026 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10988 149.0
[M+Na]+ 242.09182 154.7
[M-H]- 218.09532 150.1
[M+NH4]+ 237.13642 167.0
[M+K]+ 258.06576 152.0
[M+H-H2O]+ 202.09986 143.1
[M+HCOO]- 264.10080 162.7
[M+CH3COO]- 278.11645 186.4
[M+Na-2H]- 240.07727 151.4
[M]+ 219.10205 149.3
[M]- 219.10315 149.3
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.