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 141.7
[M+Na]+ 212.10795 147.3
[M-H]- 188.11145 141.9
[M+NH4]+ 207.15255 161.9
[M+K]+ 228.08189 145.1
[M+H-H2O]+ 172.11599 136.4
[M+HCOO]- 234.11693 154.0
[M+CH3COO]- 248.13258 178.9
[M+Na-2H]- 210.09340 143.8
[M]+ 189.11818 140.3
[M]- 189.11928 140.3
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.