CID 116405682

5-(2,2-dimethylthiomorpholin-4-yl)pentan-2-one

Structural Information

Molecular Formula
C11H21NOS
SMILES
CC(=O)CCCN1CCSC(C1)(C)C
InChI
InChI=1S/C11H21NOS/c1-10(13)5-4-6-12-7-8-14-11(2,3)9-12/h4-9H2,1-3H3
InChIKey
LBLSPFSHRLDKGW-UHFFFAOYSA-N
Compound name
5-(2,2-dimethylthiomorpholin-4-yl)pentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.13438 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.14166 151.2
[M+Na]+ 238.12360 160.9
[M+NH4]+ 233.16820 160.9
[M+K]+ 254.09754 151.0
[M-H]- 214.12710 152.4
[M+Na-2H]- 236.10905 156.0
[M]+ 215.13383 153.4
[M]- 215.13493 153.4
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.