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]+ 216.141656 148.7
[M+Na]+ 238.123598 153.9
[M-H]- 214.127104 150.1
[M+NH4]+ 233.168203 168.5
[M+K]+ 254.097538 152.1
[M+H-H2O]+ 198.131640 143.0
[M+HCOO]- 260.132581 161.0
[M+CH3COO]- 274.148231 187.6
[M+Na-2H]- 236.109046 149.3
[M]+ 215.13383142 148.6
[M]- 215.13492858 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.