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]+ 190.126006 141.8
[M+Na]+ 212.107948 147.2
[M-H]- 188.111454 142.1
[M+NH4]+ 207.152553 162.0
[M+K]+ 228.081888 145.5
[M+H-H2O]+ 172.115990 136.8
[M+HCOO]- 234.116931 153.1
[M+CH3COO]- 248.132581 179.8
[M+Na-2H]- 210.093396 142.9
[M]+ 189.11818142 139.9
[M]- 189.11927858 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.