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 152.8
[M+Na]+ 275.09237 159.6
[M-H]- 251.09587 154.0
[M+NH4]+ 270.13697 165.8
[M+K]+ 291.06631 156.9
[M+H-H2O]+ 235.10041 148.4
[M+HCOO]- 297.10135 165.9
[M+CH3COO]- 311.11700 188.5
[M+Na-2H]- 273.07782 156.0
[M]+ 252.10260 160.2
[M]- 252.10370 160.2
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