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]+	228.23219	159.2
[M+Na]+	250.21413	168.8
[M+NH4]+	245.25873	166.8
[M+K]+	266.18807	162.4
[M-H]-	226.21763	161.3
[M+Na-2H]-	248.19958	162.5
[M]+	227.22436	161.1
[M]-	227.22546	161.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe