CID 96623624

2742623-54-5

Structural Information

Molecular Formula
C7H15NO3S
SMILES
CS(=O)(=O)CC[C@H]1COCCN1
InChI
InChI=1S/C7H15NO3S/c1-12(9,10)5-2-7-6-11-4-3-8-7/h7-8H,2-6H2,1H3/t7-/m0/s1
InChIKey
FESLXIPQJACPAH-ZETCQYMHSA-N
Compound name
(3S)-3-(2-methylsulfonylethyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.07727 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08455 140.1
[M+Na]+ 216.06649 145.8
[M-H]- 192.06999 140.9
[M+NH4]+ 211.11109 156.5
[M+K]+ 232.04043 144.7
[M+H-H2O]+ 176.07453 134.4
[M+HCOO]- 238.07547 151.7
[M+CH3COO]- 252.09112 175.1
[M+Na-2H]- 214.05194 144.3
[M]+ 193.07672 138.8
[M]- 193.07782 138.8
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

No patent data available for this compound.