CID 116404631

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

Structural Information

Molecular Formula
C12H24N2OS
SMILES
CC1(CN(CCS1)CC(CNC2CC2)O)C
InChI
InChI=1S/C12H24N2OS/c1-12(2)9-14(5-6-16-12)8-11(15)7-13-10-3-4-10/h10-11,13,15H,3-9H2,1-2H3
InChIKey
XWTAFOPIMHZBRX-UHFFFAOYSA-N
Compound name
1-(cyclopropylamino)-3-(2,2-dimethylthiomorpholin-4-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.16093 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16821 156.2
[M+Na]+ 267.15015 165.7
[M+NH4]+ 262.19475 166.1
[M+K]+ 283.12409 158.3
[M-H]- 243.15365 165.5
[M+Na-2H]- 265.13560 164.0
[M]+ 244.16038 161.7
[M]- 244.16148 161.7
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.