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

674
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 120.3
[M+Na]+ 128.99807 131.5
[M+NH4]+ 124.04267 129.5
[M+K]+ 144.97201 127.0
[M-H]- 105.00157 127.4
[M+Na-2H]- 126.98352 126.8
[M]+ 106.00830 125.2
[M]- 106.00940 125.2
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