CID 67088046

Sodium oxetane-3-sulfinate

Structural Information

Molecular Formula
C3H6O3S
SMILES
C1C(CO1)S(=O)O
InChI
InChI=1S/C3H6O3S/c4-7(5)3-1-6-2-3/h3H,1-2H2,(H,4,5)
InChIKey
CMPULIZRRXCMLD-UHFFFAOYSA-N
Compound name
oxetane-3-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

122.00377 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.011046 113.0
[M+Na]+ 144.992988 118.3
[M-H]- 120.996494 116.0
[M+NH4]+ 140.037593 126.9
[M+K]+ 160.966928 122.3
[M+H-H2O]+ 105.001030 102.7
[M+HCOO]- 167.001971 128.2
[M+CH3COO]- 181.017621 167.2
[M+Na-2H]- 142.978436 117.4
[M]+ 122.00322142 122.4
[M]- 122.00431858 122.4
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