CID 12259994

3851-91-0

Structural Information

Molecular Formula

C₅H₁₀O₃S

SMILES

CC(C)OS(=O)(=O)C=C

InChI

InChI=1S/C5H10O3S/c1-4-9(6,7)8-5(2)3/h4-5H,1H2,2-3H3

InChIKey

QIJZEQVWUHGZTD-UHFFFAOYSA-N

Compound name

propan-2-yl ethenesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 150.03506 Da
Monoisotopic Mass: 0.9
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	127.5
[M+Na]+	173.02428	135.9
[M-H]-	149.02778	128.4
[M+NH4]+	168.06888	149.2
[M+K]+	188.99822	135.2
[M+H-H2O]+	133.03232	123.3
[M+HCOO]-	195.03326	144.8
[M+CH3COO]-	209.04891	172.4
[M+Na-2H]-	171.00973	131.1
[M]+	150.03451	131.6
[M]-	150.03561	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe