CID 3049087

Lcg 21675

Structural Information

Molecular Formula

C₁₄H₂₉NO

SMILES

CCCC(CCC)(CCC)N1CCOCC1

InChI

InChI=1S/C14H29NO/c1-4-7-14(8-5-2,9-6-3)15-10-12-16-13-11-15/h4-13H2,1-3H3

InChIKey

SSBCFULQQBTATN-UHFFFAOYSA-N

Compound name

4-(4-propylheptan-4-yl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 227.22491 Da
Monoisotopic Mass: 3.5
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]+	228.232186	160.1
[M+Na]+	250.214128	162.8
[M-H]-	226.217634	161.1
[M+NH4]+	245.258733	175.6
[M+K]+	266.188068	162.2
[M+H-H2O]+	210.222170	153.1
[M+HCOO]-	272.223111	175.1
[M+CH3COO]-	286.238761	192.6
[M+Na-2H]-	248.199576	164.2
[M]+	227.22436142	159.7
[M]-	227.22545858	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe