CID 169651

1-[2-(dodecyloxy)ethyl]pyrrolidine

Structural Information

Molecular Formula

C₁₈H₃₇NO

SMILES

CCCCCCCCCCCCOCCN1CCCC1

InChI

InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-13-17-20-18-16-19-14-11-12-15-19/h2-18H2,1H3

InChIKey

ZXQPAHCKMPFMTO-UHFFFAOYSA-N

Compound name

1-(2-dodecoxyethyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 0
Patents: 283.2875 Da
Monoisotopic Mass: 6.2
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]+	284.294776	178.6
[M+Na]+	306.276718	179.9
[M-H]-	282.280224	177.9
[M+NH4]+	301.321323	194.6
[M+K]+	322.250658	176.8
[M+H-H2O]+	266.284760	170.1
[M+HCOO]-	328.285701	196.7
[M+CH3COO]-	342.301351	204.0
[M+Na-2H]-	304.262166	177.4
[M]+	283.28695142	181.5
[M]-	283.28804858	181.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.