CID 73800

1561-92-8

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
2
Annotation Hits

14
References

25276
Patents

136.01941 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.02669 127.7
[M+Na]+ 159.00863 136.4
[M+NH4]+ 154.05323 134.4
[M+K]+ 174.98257 131.4
[M-H]- 135.01213 124.9
[M+Na-2H]- 156.99408 129.3
[M]+ 136.01886 128.3
[M]- 136.01996 128.3
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