CID 555758

Sodium prop-2-ene-1-sulfinate

Structural Information

Molecular Formula
C3H6O2S
SMILES
C=CCS(=O)O
InChI
InChI=1S/C3H6O2S/c1-2-3-6(4)5/h2H,1,3H2,(H,4,5)
InChIKey
UZSPFQBPERYLMS-UHFFFAOYSA-N
Compound name
prop-2-ene-1-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

67
Patents

106.00885 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.01613 119.1
[M+Na]+ 128.99807 128.8
[M+NH4]+ 124.04267 127.1
[M+K]+ 144.97201 122.5
[M-H]- 105.00157 117.8
[M+Na-2H]- 126.98352 121.7
[M]+ 106.00830 120.3
[M]- 106.00940 120.3
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