CID 2798057

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

Structural Information

Molecular Formula
C15H19NO3
SMILES
CCOC(=O)C1CCN(CC1)C2=CC=CC=C2C=O
InChI
InChI=1S/C15H19NO3/c1-2-19-15(18)12-7-9-16(10-8-12)14-6-4-3-5-13(14)11-17/h3-6,11-12H,2,7-10H2,1H3
InChIKey
XYGFKYRHCMLPNU-UHFFFAOYSA-N
Compound name
ethyl 1-(2-formylphenyl)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

261.1365 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.143776 160.4
[M+Na]+ 284.125718 165.5
[M-H]- 260.129224 164.8
[M+NH4]+ 279.170323 175.3
[M+K]+ 300.099658 162.8
[M+H-H2O]+ 244.133760 152.0
[M+HCOO]- 306.134701 178.8
[M+CH3COO]- 320.150351 195.6
[M+Na-2H]- 282.111166 162.4
[M]+ 261.13595142 159.0
[M]- 261.13704858 159.0
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

patents stripe