CID 14563239

Sodium cyclopropanesulfinate

Structural Information

Molecular Formula
C3H6O2S
SMILES
C1CC1S(=O)O
InChI
InChI=1S/C3H6O2S/c4-6(5)3-1-2-3/h3H,1-2H2,(H,4,5)
InChIKey
SJNAEBWOVPMUKS-UHFFFAOYSA-N
Compound name
cyclopropanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

711
Patents

106.00885 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.016126 113.8
[M+Na]+ 128.998068 123.5
[M-H]- 105.001574 117.7
[M+NH4]+ 124.042673 131.6
[M+K]+ 144.972008 121.6
[M+H-H2O]+ 89.006110 108.6
[M+HCOO]- 151.007051 131.8
[M+CH3COO]- 165.022701 165.9
[M+Na-2H]- 126.983516 118.0
[M]+ 106.00830142 116.9
[M]- 106.00939858 116.9
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