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

9
Patents

252.10315 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.110426 152.8
[M+Na]+ 275.092368 159.6
[M-H]- 251.095874 154.0
[M+NH4]+ 270.136973 165.8
[M+K]+ 291.066308 156.9
[M+H-H2O]+ 235.100410 148.4
[M+HCOO]- 297.101351 165.9
[M+CH3COO]- 311.117001 188.5
[M+Na-2H]- 273.077816 156.0
[M]+ 252.10260142 160.2
[M]- 252.10369858 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