CID 19621385

4-(4-methylpiperidin-1-yl)benzaldehyde

Structural Information

Molecular Formula

C₁₃H₁₇NO

SMILES

CC1CCN(CC1)C2=CC=C(C=C2)C=O

InChI

InChI=1S/C13H17NO/c1-11-6-8-14(9-7-11)13-4-2-12(10-15)3-5-13/h2-5,10-11H,6-9H2,1H3

InChIKey

HRKZATGTUGYPBO-UHFFFAOYSA-N

Compound name

4-(4-methylpiperidin-1-yl)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 203.13101 Da
Monoisotopic Mass: 2.8
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]+	204.13829	147.2
[M+Na]+	226.12023	160.8
[M+NH4]+	221.16483	156.3
[M+K]+	242.09417	152.9
[M-H]-	202.12373	151.4
[M+Na-2H]-	224.10568	155.1
[M]+	203.13046	150.3
[M]-	203.13156	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe