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]+ 194.084546 140.1
[M+Na]+ 216.066488 145.8
[M-H]- 192.069994 140.9
[M+NH4]+ 211.111093 156.5
[M+K]+ 232.040428 144.7
[M+H-H2O]+ 176.074530 134.4
[M+HCOO]- 238.075471 151.7
[M+CH3COO]- 252.091121 175.1
[M+Na-2H]- 214.051936 144.3
[M]+ 193.07672142 138.8
[M]- 193.07781858 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.