CID 116406132

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

Structural Information

Molecular Formula
C9H19NOS
SMILES
CC(CN1CCSC(C1)(C)C)O
InChI
InChI=1S/C9H19NOS/c1-8(11)6-10-4-5-12-9(2,3)7-10/h8,11H,4-7H2,1-3H3
InChIKey
KGNLCAQYWAONLO-UHFFFAOYSA-N
Compound name
1-(2,2-dimethylthiomorpholin-4-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.11873 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12601 141.8
[M+Na]+ 212.10795 147.2
[M-H]- 188.11145 142.1
[M+NH4]+ 207.15255 162.0
[M+K]+ 228.08189 145.5
[M+H-H2O]+ 172.11599 136.8
[M+HCOO]- 234.11693 153.1
[M+CH3COO]- 248.13258 179.8
[M+Na-2H]- 210.09340 142.9
[M]+ 189.11818 139.9
[M]- 189.11928 139.9
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.