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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11583 159.5
[M+Na]+ 292.09777 165.5
[M-H]- 268.10127 164.9
[M+NH4]+ 287.14237 173.5
[M+K]+ 308.07171 163.3
[M+H-H2O]+ 252.10581 152.0
[M+HCOO]- 314.10675 172.4
[M+CH3COO]- 328.12240 192.6
[M+Na-2H]- 290.08322 163.2
[M]+ 269.10800 160.0
[M]- 269.10910 160.0
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