CID 15646442

2-methanesulfonyl-2-methylpropanal

Structural Information

Molecular Formula

C₅H₁₀O₃S

SMILES

CC(C)(C=O)S(=O)(=O)C

InChI

InChI=1S/C5H10O3S/c1-5(2,4-6)9(3,7)8/h4H,1-3H3

InChIKey

VQTVVYORTKZNLH-UHFFFAOYSA-N

Compound name

2-methyl-2-methylsulfonylpropanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 150.03506 Da
Monoisotopic Mass: -0.3
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]+	151.04234	133.1
[M+Na]+	173.02428	142.2
[M+NH4]+	168.06888	139.9
[M+K]+	188.99822	137.1
[M-H]-	149.02778	130.4
[M+Na-2H]-	171.00973	135.3
[M]+	150.03451	133.9
[M]-	150.03561	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe