CID 253895

Morpholine, 4-(2-(4-tolylsulfonyl)ethyl)-, hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₉NO₃S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCN2CCOCC2

InChI

InChI=1S/C13H19NO3S/c1-12-2-4-13(5-3-12)18(15,16)11-8-14-6-9-17-10-7-14/h2-5H,6-11H2,1H3

InChIKey

XPVFQEOXZSEYKO-UHFFFAOYSA-N

Compound name

4-[2-(4-methylphenyl)sulfonylethyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 269.10855 Da
Monoisotopic Mass: 1.2
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]+	270.115826	159.5
[M+Na]+	292.097768	165.5
[M-H]-	268.101274	164.9
[M+NH4]+	287.142373	173.5
[M+K]+	308.071708	163.3
[M+H-H2O]+	252.105810	152.0
[M+HCOO]-	314.106751	172.4
[M+CH3COO]-	328.122401	192.6
[M+Na-2H]-	290.083216	163.2
[M]+	269.10800142	160.0
[M]-	269.10909858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe