CID 115683609

3-(2,2-dimethylthiomorpholin-4-yl)propan-1-ol

Structural Information

Molecular Formula
C9H19NOS
SMILES
CC1(CN(CCS1)CCCO)C
InChI
InChI=1S/C9H19NOS/c1-9(2)8-10(4-3-6-11)5-7-12-9/h11H,3-8H2,1-2H3
InChIKey
ZSROEHYMSGJTBA-UHFFFAOYSA-N
Compound name
3-(2,2-dimethylthiomorpholin-4-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.11873 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12601 143.0
[M+Na]+ 212.10795 152.9
[M+NH4]+ 207.15255 153.1
[M+K]+ 228.08189 143.0
[M-H]- 188.11145 144.2
[M+Na-2H]- 210.09340 148.1
[M]+ 189.11818 145.3
[M]- 189.11928 145.3
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.