CID 13600392

S,s-diethyl-sulfoximine

Structural Information

Molecular Formula
C4H11NOS
SMILES
CCS(=N)(=O)CC
InChI
InChI=1S/C4H11NOS/c1-3-7(5,6)4-2/h5H,3-4H2,1-2H3
InChIKey
APAXYIMCLKHPKO-UHFFFAOYSA-N
Compound name
diethyl-imino-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

121.05614 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.06342 125.2
[M+Na]+ 144.04536 134.5
[M+NH4]+ 139.08996 133.4
[M+K]+ 160.01930 127.9
[M-H]- 120.04886 124.7
[M+Na-2H]- 142.03081 128.6
[M]+ 121.05559 126.7
[M]- 121.05669 126.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe