CID 80014

5917-47-5

Structural Information

Molecular Formula

C₁₇H₃₅N

SMILES

CCCCCCCCCCCCN1CCCCC1

InChI

InChI=1S/C17H35N/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h2-17H2,1H3

InChIKey

BHDDSIBLLZQKRF-UHFFFAOYSA-N

Compound name

1-dodecylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 477
Patents: 253.27695 Da
Monoisotopic Mass: 6.7
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]+	254.28423	170.2
[M+Na]+	276.26617	171.0
[M-H]-	252.26967	169.5
[M+NH4]+	271.31077	185.6
[M+K]+	292.24011	167.7
[M+H-H2O]+	236.27421	161.9
[M+HCOO]-	298.27515	186.3
[M+CH3COO]-	312.29080	199.4
[M+Na-2H]-	274.25162	171.0
[M]+	253.27640	169.2
[M]-	253.27750	169.2

Literature stripe

literature stripe

Patent stripe

patents stripe