CID 5323639

2-(ethenesulfonyl)-2-methylpropane

Structural Information

Molecular Formula

C₆H₁₂O₂S

SMILES

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

InChI

InChI=1S/C6H12O2S/c1-5-9(7,8)6(2,3)4/h5H,1H2,2-4H3

InChIKey

WWSRTAZVNIIQSD-UHFFFAOYSA-N

Compound name

2-ethenylsulfonyl-2-methylpropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 235
Patents: 148.0558 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]+	149.06308	128.8
[M+Na]+	171.04502	137.7
[M-H]-	147.04852	129.9
[M+NH4]+	166.08962	151.0
[M+K]+	187.01896	136.2
[M+H-H2O]+	131.05306	125.3
[M+HCOO]-	193.05400	145.2
[M+CH3COO]-	207.06965	172.3
[M+Na-2H]-	169.03047	133.8
[M]+	148.05525	131.9
[M]-	148.05635	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe