CID 115683962

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

Structural Information

Molecular Formula
C10H21NO2S
SMILES
CC1(CN(CCS1)CC(COC)O)C
InChI
InChI=1S/C10H21NO2S/c1-10(2)8-11(4-5-14-10)6-9(12)7-13-3/h9,12H,4-8H2,1-3H3
InChIKey
PLJJYRXGLYVORG-UHFFFAOYSA-N
Compound name
1-(2,2-dimethylthiomorpholin-4-yl)-3-methoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.1293 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13658 149.5
[M+Na]+ 242.11852 154.3
[M-H]- 218.12202 149.5
[M+NH4]+ 237.16312 168.4
[M+K]+ 258.09246 152.8
[M+H-H2O]+ 202.12656 144.1
[M+HCOO]- 264.12750 160.7
[M+CH3COO]- 278.14315 184.8
[M+Na-2H]- 240.10397 150.2
[M]+ 219.12875 149.4
[M]- 219.12985 149.4
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.