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 148.7
[M+Na]+ 238.12360 153.9
[M-H]- 214.12710 150.1
[M+NH4]+ 233.16820 168.5
[M+K]+ 254.09754 152.1
[M+H-H2O]+ 198.13164 143.0
[M+HCOO]- 260.13258 161.0
[M+CH3COO]- 274.14823 187.6
[M+Na-2H]- 236.10905 149.3
[M]+ 215.13383 148.6
[M]- 215.13493 148.6
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.