CID 11183892

26815-04-3

Structural Information

Molecular Formula

C₁₄H₁₉NO₂

SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)C=O

InChI

InChI=1S/C14H19NO2/c16-12-13-4-6-14(7-5-13)17-11-10-15-8-2-1-3-9-15/h4-7,12H,1-3,8-11H2

InChIKey

WCLJTEXCGGSJJN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 350
Patents: 233.14159 Da
Monoisotopic Mass: 2.2
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]+	234.148866	154.1
[M+Na]+	256.130808	158.6
[M-H]-	232.134314	158.1
[M+NH4]+	251.175413	170.0
[M+K]+	272.104748	155.7
[M+H-H2O]+	216.138850	145.5
[M+HCOO]-	278.139791	173.4
[M+CH3COO]-	292.155441	190.0
[M+Na-2H]-	254.116256	158.4
[M]+	233.14104142	151.8
[M]-	233.14213858	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe