CID 214238

2-morpholinoethyl p-tolyl sulfoxide hydrochloride

Structural Information

Molecular Formula
C13H19NO2S
SMILES
CC1=CC=C(C=C1)S(=O)CCN2CCOCC2
InChI
InChI=1S/C13H19NO2S/c1-12-2-4-13(5-3-12)17(15)11-8-14-6-9-16-10-7-14/h2-5H,6-11H2,1H3
InChIKey
BHFXVQLJYLGTOG-UHFFFAOYSA-N
Compound name
4-[2-(4-methylphenyl)sulfinylethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

253.11365 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.12093 156.1
[M+Na]+ 276.10287 168.2
[M+NH4]+ 271.14747 164.6
[M+K]+ 292.07681 159.8
[M-H]- 252.10637 160.9
[M+Na-2H]- 274.08832 162.1
[M]+ 253.11310 159.6
[M]- 253.11420 159.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe