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 152.7
[M+Na]+ 267.15015 157.7
[M-H]- 243.15365 156.2
[M+NH4]+ 262.19475 165.4
[M+K]+ 283.12409 154.8
[M+H-H2O]+ 227.15819 146.4
[M+HCOO]- 289.15913 164.7
[M+CH3COO]- 303.17478 195.0
[M+Na-2H]- 265.13560 153.9
[M]+ 244.16038 152.6
[M]- 244.16148 152.6
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.