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]+ 190.126006 141.7
[M+Na]+ 212.107948 147.3
[M-H]- 188.111454 141.9
[M+NH4]+ 207.152553 161.9
[M+K]+ 228.081888 145.1
[M+H-H2O]+ 172.115990 136.4
[M+HCOO]- 234.116931 154.0
[M+CH3COO]- 248.132581 178.9
[M+Na-2H]- 210.093396 143.8
[M]+ 189.11818142 140.3
[M]- 189.11927858 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.