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]+ 262.14378 160.4
[M+Na]+ 284.12572 165.5
[M-H]- 260.12922 164.8
[M+NH4]+ 279.17032 175.3
[M+K]+ 300.09966 162.8
[M+H-H2O]+ 244.13376 152.0
[M+HCOO]- 306.13470 178.8
[M+CH3COO]- 320.15035 195.6
[M+Na-2H]- 282.11117 162.4
[M]+ 261.13595 159.0
[M]- 261.13705 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