CID 145926361

Sodium bicyclo[1.1.1]pentane-1-sulfinate

Structural Information

Molecular Formula
C5H8O2S
SMILES
C1C2CC1(C2)S(=O)O
InChI
InChI=1S/C5H8O2S/c6-8(7)5-1-4(2-5)3-5/h4H,1-3H2,(H,6,7)
InChIKey
ZCOIYZAXPIXDPM-UHFFFAOYSA-N
Compound name
bicyclo[1.1.1]pentane-1-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

132.0245 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.03178 133.1
[M+Na]+ 155.01372 134.9
[M-H]- 131.01722 134.4
[M+NH4]+ 150.05832 138.2
[M+K]+ 170.98766 141.7
[M+H-H2O]+ 115.02176 118.3
[M+HCOO]- 177.02270 141.2
[M+CH3COO]- 191.03835 199.2
[M+Na-2H]- 152.99917 137.9
[M]+ 132.02395 157.9
[M]- 132.02505 157.9
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