CID 116405671

2-[2-(2,2-dimethylthiomorpholin-4-yl)ethyl]cyclopentan-1-one

Structural Information

Molecular Formula
C13H23NOS
SMILES
CC1(CN(CCS1)CCC2CCCC2=O)C
InChI
InChI=1S/C13H23NOS/c1-13(2)10-14(8-9-16-13)7-6-11-4-3-5-12(11)15/h11H,3-10H2,1-2H3
InChIKey
TVTNMVAKEWSKDL-UHFFFAOYSA-N
Compound name
2-[2-(2,2-dimethylthiomorpholin-4-yl)ethyl]cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.15004 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.15732 157.0
[M+Na]+ 264.13926 162.3
[M-H]- 240.14276 161.4
[M+NH4]+ 259.18386 177.6
[M+K]+ 280.11320 159.5
[M+H-H2O]+ 224.14730 150.9
[M+HCOO]- 286.14824 169.4
[M+CH3COO]- 300.16389 190.1
[M+Na-2H]- 262.12471 155.1
[M]+ 241.14949 154.3
[M]- 241.15059 154.3
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.