CID 17238

Prop-2-ene-1-sulfonic acid

Structural Information

Molecular Formula
C3H6O3S
SMILES
C=CCS(=O)(=O)O
InChI
InChI=1S/C3H6O3S/c1-2-3-7(4,5)6/h2H,1,3H2,(H,4,5,6)
InChIKey
UIIIBRHUICCMAI-UHFFFAOYSA-N
Compound name
prop-2-ene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

110636
Patents

122.00377 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.011046 119.6
[M+Na]+ 144.992988 128.6
[M-H]- 120.996494 119.3
[M+NH4]+ 140.037593 141.7
[M+K]+ 160.966928 126.9
[M+H-H2O]+ 105.001030 115.9
[M+HCOO]- 167.001971 137.1
[M+CH3COO]- 181.017621 162.9
[M+Na-2H]- 142.978436 124.7
[M]+ 122.00322142 121.6
[M]- 122.00431858 121.6
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