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]+ 176.11037 137.4
[M+Na]+ 198.09231 143.5
[M-H]- 174.09581 137.8
[M+NH4]+ 193.13691 158.2
[M+K]+ 214.06625 141.6
[M+H-H2O]+ 158.10035 132.3
[M+HCOO]- 220.10129 150.1
[M+CH3COO]- 234.11694 175.9
[M+Na-2H]- 196.07776 140.0
[M]+ 175.10254 135.7
[M]- 175.10364 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.