CID 71352865

1003-45-8

Structural Information

Molecular Formula

SMILES

CC1(CSCC1=O)C

InChI

InChI=1S/C6H10OS/c1-6(2)4-8-3-5(6)7/h3-4H2,1-2H3

InChIKey

QVNMAGJMTZCCED-UHFFFAOYSA-N

Compound name

4,4-dimethylthiolan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 130.04524 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	131.05252	127.1
[M+Na]+	153.03446	137.2
[M+NH4]+	148.07906	138.2
[M+K]+	169.00840	129.3
[M-H]-	129.03796	128.7
[M+Na-2H]-	151.01991	132.6
[M]+	130.04469	129.5
[M]-	130.04579	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe