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

793
Patents

106.00885 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.01613 113.8
[M+Na]+ 128.99807 123.5
[M-H]- 105.00157 117.7
[M+NH4]+ 124.04267 131.6
[M+K]+ 144.97201 121.6
[M+H-H2O]+ 89.006110 108.6
[M+HCOO]- 151.00705 131.8
[M+CH3COO]- 165.02270 165.9
[M+Na-2H]- 126.98352 118.0
[M]+ 106.00830 116.9
[M]- 106.00940 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