CID 71479198

Butyl 1-((2s)-2,3-dihydroxypropyl)cyclopropane-1-sulfonate

Structural Information

Molecular Formula
C10H20O5S
SMILES
CCCCOS(=O)(=O)C1(CC1)C[C@@H](CO)O
InChI
InChI=1S/C10H20O5S/c1-2-3-6-15-16(13,14)10(4-5-10)7-9(12)8-11/h9,11-12H,2-8H2,1H3/t9-/m0/s1
InChIKey
ZPHIIMKYBDCJBE-VIFPVBQESA-N
Compound name
butyl 1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

252.10315 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.11043 160.2
[M+Na]+ 275.09237 168.2
[M+NH4]+ 270.13697 167.2
[M+K]+ 291.06631 163.2
[M-H]- 251.09587 164.4
[M+Na-2H]- 273.07782 164.8
[M]+ 252.10260 163.9
[M]- 252.10370 163.9
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