CID 73800

2-methylprop-2-ene-1-sulfonic acid

Structural Information

Molecular Formula
C4H8O3S
SMILES
CC(=C)CS(=O)(=O)O
InChI
InChI=1S/C4H8O3S/c1-4(2)3-8(5,6)7/h1,3H2,2H3,(H,5,6,7)
InChIKey
XEEYSDHEOQHCDA-UHFFFAOYSA-N
Compound name
2-methylprop-2-ene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

14
References

32409
Patents

136.01941 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.026686 123.8
[M+Na]+ 159.008628 132.1
[M-H]- 135.012134 123.4
[M+NH4]+ 154.053233 145.3
[M+K]+ 174.982568 130.7
[M+H-H2O]+ 119.016670 120.0
[M+HCOO]- 181.017611 139.9
[M+CH3COO]- 195.033261 166.7
[M+Na-2H]- 156.994076 127.4
[M]+ 136.01886142 125.6
[M]- 136.01995858 125.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe