CID 204986

17172-62-2

Structural Information

Molecular Formula

C₁₄H₁₇NO₃

SMILES

C1CCN(CC1)C(=O)COC2=CC=C(C=C2)C=O

InChI

InChI=1S/C14H17NO3/c16-10-12-4-6-13(7-5-12)18-11-14(17)15-8-2-1-3-9-15/h4-7,10H,1-3,8-9,11H2

InChIKey

WSOMRIFBTYVLIY-UHFFFAOYSA-N

Compound name

4-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 247.12085 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	248.12813	156.2
[M+Na]+	270.11007	160.8
[M-H]-	246.11357	160.4
[M+NH4]+	265.15467	171.4
[M+K]+	286.08401	158.3
[M+H-H2O]+	230.11811	147.7
[M+HCOO]-	292.11905	174.9
[M+CH3COO]-	306.13470	191.5
[M+Na-2H]-	268.09552	159.4
[M]+	247.12030	154.0
[M]-	247.12140	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe