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]+ 205.13692 145.9
[M+Na]+ 227.11886 150.4
[M-H]- 203.12236 145.4
[M+NH4]+ 222.16346 164.8
[M+K]+ 243.09280 148.1
[M+H-H2O]+ 187.12690 140.4
[M+HCOO]- 249.12784 157.5
[M+CH3COO]- 263.14349 184.0
[M+Na-2H]- 225.10431 146.5
[M]+ 204.12909 142.1
[M]- 204.13019 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.