CID 3057368

74037-73-3

Structural Information

Molecular Formula

C₁₃H₁₉NO

SMILES

CCC(C1=CC=CC=C1)N2CCOCC2

InChI

InChI=1S/C13H19NO/c1-2-13(12-6-4-3-5-7-12)14-8-10-15-11-9-14/h3-7,13H,2,8-11H2,1H3

InChIKey

LSTVSNRAJKBTNW-UHFFFAOYSA-N

Compound name

4-(1-phenylpropyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 205.14667 Da
Monoisotopic Mass: 2.3
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]+	206.15395	148.1
[M+Na]+	228.13589	151.8
[M-H]-	204.13939	152.6
[M+NH4]+	223.18049	163.7
[M+K]+	244.10983	150.6
[M+H-H2O]+	188.14393	139.8
[M+HCOO]-	250.14487	165.5
[M+CH3COO]-	264.16052	185.5
[M+Na-2H]-	226.12134	153.3
[M]+	205.14612	144.3
[M]-	205.14722	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe