CID 115713

3-(2-methylpiperidin-1-yl)propyl tetradecanoate

Structural Information

Molecular Formula

C₂₃H₄₅NO₂

SMILES

CCCCCCCCCCCCCC(=O)OCCCN1CCCCC1C

InChI

InChI=1S/C23H45NO2/c1-3-4-5-6-7-8-9-10-11-12-13-18-23(25)26-21-16-20-24-19-15-14-17-22(24)2/h22H,3-21H2,1-2H3

InChIKey

VRNDXFKUQLCBRG-UHFFFAOYSA-N

Compound name

3-(2-methylpiperidin-1-yl)propyl tetradecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 367.34503 Da
Monoisotopic Mass: 8.0
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]+	368.352306	201.8
[M+Na]+	390.334248	201.0
[M-H]-	366.337754	200.4
[M+NH4]+	385.378853	212.7
[M+K]+	406.308188	197.1
[M+H-H2O]+	350.342290	192.5
[M+HCOO]-	412.343231	215.5
[M+CH3COO]-	426.358881	221.4
[M+Na-2H]-	388.319696	197.6
[M]+	367.34448142	204.9
[M]-	367.34557858	204.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.