CID 146155554

2416217-48-4

Structural Information

Molecular Formula
C7H15NOS
SMILES
CC1([C@@H](NCCS1)CO)C
InChI
InChI=1S/C7H15NOS/c1-7(2)6(5-9)8-3-4-10-7/h6,8-9H,3-5H2,1-2H3/t6-/m0/s1
InChIKey
AXVNDPGOXUCUMG-LURJTMIESA-N
Compound name
[(3S)-2,2-dimethylthiomorpholin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.08743 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09471 134.5
[M+Na]+ 184.07665 144.2
[M+NH4]+ 179.12125 144.5
[M+K]+ 200.05059 135.1
[M-H]- 160.08015 135.2
[M+Na-2H]- 182.06210 139.5
[M]+ 161.08688 136.5
[M]- 161.08798 136.5
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.