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]+ 162.094706 133.8
[M+Na]+ 184.076648 140.0
[M-H]- 160.080154 133.0
[M+NH4]+ 179.121253 154.5
[M+K]+ 200.050588 137.3
[M+H-H2O]+ 144.084690 129.3
[M+HCOO]- 206.085631 145.3
[M+CH3COO]- 220.101281 170.3
[M+Na-2H]- 182.062096 136.5
[M]+ 161.08688142 129.9
[M]- 161.08797858 129.9
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.