CID 3014274

Potassium 1-hydroxyethanesulphinate

Structural Information

Molecular Formula
C2H6O3S
SMILES
CC(O)S(=O)O
InChI
InChI=1S/C2H6O3S/c1-2(3)6(4)5/h2-3H,1H3,(H,4,5)
InChIKey
MNPWBESCUAMGHN-UHFFFAOYSA-N
Compound name
1-hydroxyethanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

110.00377 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.011046 117.4
[M+Na]+ 132.992988 124.9
[M-H]- 108.996494 115.7
[M+NH4]+ 128.037593 139.2
[M+K]+ 148.966928 124.4
[M+H-H2O]+ 93.001030 113.5
[M+HCOO]- 155.001971 132.7
[M+CH3COO]- 169.017621 160.5
[M+Na-2H]- 130.978436 119.6
[M]+ 110.00322142 117.8
[M]- 110.00431858 117.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe