CID 116311

64039-05-0

Structural Information

Molecular Formula
C6H14NOS2
SMILES
CS[N+]1(CCOCC1)SC
InChI
InChI=1S/C6H14NOS2/c1-9-7(10-2)3-5-8-6-4-7/h3-6H2,1-2H3/q+1
InChIKey
IAFIRFUOPXJJAU-UHFFFAOYSA-N
Compound name
4,4-bis(methylsulfanyl)morpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.05168 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05896 126.4
[M+Na]+ 203.04090 132.7
[M-H]- 179.04440 128.8
[M+NH4]+ 198.08550 146.2
[M+K]+ 219.01484 126.5
[M+H-H2O]+ 163.04894 124.1
[M+HCOO]- 225.04988 134.7
[M+CH3COO]- 239.06553 170.2
[M+Na-2H]- 201.02635 132.4
[M]+ 180.05113 124.5
[M]- 180.05223 124.5
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.