CID 43350799

2-(4-methanesulfonylphenyl)morpholine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₅NO₃S

SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2CNCCO2

InChI

InChI=1S/C11H15NO3S/c1-16(13,14)10-4-2-9(3-5-10)11-8-12-6-7-15-11/h2-5,11-12H,6-8H2,1H3

InChIKey

XTWWKBPFMXUQJP-UHFFFAOYSA-N

Compound name

2-(4-methylsulfonylphenyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 241.07727 Da
Monoisotopic Mass: 0.3
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]+	242.084546	151.0
[M+Na]+	264.066488	157.4
[M-H]-	240.069994	155.3
[M+NH4]+	259.111093	165.4
[M+K]+	280.040428	154.8
[M+H-H2O]+	224.074530	144.2
[M+HCOO]-	286.075471	163.0
[M+CH3COO]-	300.091121	184.1
[M+Na-2H]-	262.051936	155.2
[M]+	241.07672142	149.0
[M]-	241.07781858	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe