CID 116404625

1-amino-3-(2,2-dimethylthiomorpholin-4-yl)propan-2-ol

Structural Information

Molecular Formula
C9H20N2OS
SMILES
CC1(CN(CCS1)CC(CN)O)C
InChI
InChI=1S/C9H20N2OS/c1-9(2)7-11(3-4-13-9)6-8(12)5-10/h8,12H,3-7,10H2,1-2H3
InChIKey
JWSDVKUMXMTPQO-UHFFFAOYSA-N
Compound name
1-amino-3-(2,2-dimethylthiomorpholin-4-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.12964 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.136916 145.9
[M+Na]+ 227.118858 150.4
[M-H]- 203.122364 145.4
[M+NH4]+ 222.163463 164.8
[M+K]+ 243.092798 148.1
[M+H-H2O]+ 187.126900 140.4
[M+HCOO]- 249.127841 157.5
[M+CH3COO]- 263.143491 184.0
[M+Na-2H]- 225.104306 146.5
[M]+ 204.12909142 142.1
[M]- 204.13018858 142.1
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.