CID 43404451

Ethyl 1-cyclopropanecarbonylpiperidine-3-carboxylate

Structural Information

Molecular Formula
C12H19NO3
SMILES
CCOC(=O)C1CCCN(C1)C(=O)C2CC2
InChI
InChI=1S/C12H19NO3/c1-2-16-12(15)10-4-3-7-13(8-10)11(14)9-5-6-9/h9-10H,2-8H2,1H3
InChIKey
GHSKOXMJKSBMOU-UHFFFAOYSA-N
Compound name
ethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.13649 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 155.2
[M+Na]+ 248.12571 161.3
[M-H]- 224.12921 160.3
[M+NH4]+ 243.17031 167.0
[M+K]+ 264.09965 159.1
[M+H-H2O]+ 208.13375 147.6
[M+HCOO]- 270.13469 172.7
[M+CH3COO]- 284.15034 191.5
[M+Na-2H]- 246.11116 156.1
[M]+ 225.13594 155.5
[M]- 225.13704 155.5
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.