CID 3050842

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

Structural Information

Molecular Formula
C13H19NO4S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)CCN2CCOCC2
InChI
InChI=1S/C13H19NO4S/c1-17-12-2-4-13(5-3-12)19(15,16)11-8-14-6-9-18-10-7-14/h2-5H,6-11H2,1H3
InChIKey
MWHFZRUGWLQHGY-UHFFFAOYSA-N
Compound name
4-[2-(4-methoxyphenyl)sulfonylethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

285.1035 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11078 162.6
[M+Na]+ 308.09272 168.4
[M-H]- 284.09622 167.9
[M+NH4]+ 303.13732 175.9
[M+K]+ 324.06666 166.8
[M+H-H2O]+ 268.10076 154.9
[M+HCOO]- 330.10170 175.7
[M+CH3COO]- 344.11735 194.7
[M+Na-2H]- 306.07817 166.5
[M]+ 285.10295 164.6
[M]- 285.10405 164.6
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