CID 115683583

1011487-00-5

Structural Information

Molecular Formula
C8H17NOS
SMILES
CC1(CN(CCS1)CCO)C
InChI
InChI=1S/C8H17NOS/c1-8(2)7-9(3-5-10)4-6-11-8/h10H,3-7H2,1-2H3
InChIKey
LQYLGVBSUREGMT-UHFFFAOYSA-N
Compound name
2-(2,2-dimethylthiomorpholin-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.10309 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.110366 137.4
[M+Na]+ 198.092308 143.5
[M-H]- 174.095814 137.8
[M+NH4]+ 193.136913 158.2
[M+K]+ 214.066248 141.6
[M+H-H2O]+ 158.100350 132.3
[M+HCOO]- 220.101291 150.1
[M+CH3COO]- 234.116941 175.9
[M+Na-2H]- 196.077756 140.0
[M]+ 175.10254142 135.7
[M]- 175.10363858 135.7
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.