CID 3613837

3-phenylmorpholine

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C1COCC(N1)C2=CC=CC=C2

InChI

InChI=1S/C10H13NO/c1-2-4-9(5-3-1)10-8-12-7-6-11-10/h1-5,10-11H,6-8H2

InChIKey

MHZXKVPCJBPNKI-UHFFFAOYSA-N

Compound name

3-phenylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 472
Patents: 163.09972 Da
Monoisotopic Mass: 1.0
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]+	164.10700	134.3
[M+Na]+	186.08894	139.3
[M-H]-	162.09244	138.0
[M+NH4]+	181.13354	151.0
[M+K]+	202.06288	137.4
[M+H-H2O]+	146.09698	127.0
[M+HCOO]-	208.09792	152.3
[M+CH3COO]-	222.11357	146.2
[M+Na-2H]-	184.07439	142.0
[M]+	163.09917	128.4
[M]-	163.10027	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe