CID 81453433

2-methylthiolane-2-carbaldehyde

Structural Information

Molecular Formula

SMILES

CC1(CCCS1)C=O

InChI

InChI=1S/C6H10OS/c1-6(5-7)3-2-4-8-6/h5H,2-4H2,1H3

InChIKey

FLZPPWDYVMPKOX-UHFFFAOYSA-N

Compound name

2-methylthiolane-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 130.04524 Da
Monoisotopic Mass: 1.1
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	125.4
[M+Na]+	153.03446	133.4
[M-H]-	129.03796	129.2
[M+NH4]+	148.07906	151.6
[M+K]+	169.00840	132.4
[M+H-H2O]+	113.04250	121.6
[M+HCOO]-	175.04344	143.8
[M+CH3COO]-	189.05909	167.8
[M+Na-2H]-	151.01991	128.7
[M]+	130.04469	125.5
[M]-	130.04579	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.