CID 3483189

Ethyl 1-(2-chloropropanoyl)piperidine-4-carboxylate

Structural Information

Molecular Formula
C11H18ClNO3
SMILES
CCOC(=O)C1CCN(CC1)C(=O)C(C)Cl
InChI
InChI=1S/C11H18ClNO3/c1-3-16-11(15)9-4-6-13(7-5-9)10(14)8(2)12/h8-9H,3-7H2,1-2H3
InChIKey
AVZSMRMIZSTDGN-UHFFFAOYSA-N
Compound name
ethyl 1-(2-chloropropanoyl)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.09752 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.10480 154.1
[M+Na]+ 270.08674 159.2
[M-H]- 246.09024 155.3
[M+NH4]+ 265.13134 170.7
[M+K]+ 286.06068 157.2
[M+H-H2O]+ 230.09478 148.3
[M+HCOO]- 292.09572 166.0
[M+CH3COO]- 306.11137 191.6
[M+Na-2H]- 268.07219 153.7
[M]+ 247.09697 154.3
[M]- 247.09807 154.3
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.