CID 25244599

Sulfoquinovisyldiacylglycerol

Structural Information

Molecular Formula
C11H18O12S
SMILES
C(C1C(C(C(C(O1)OCC(COC=O)OC=O)O)O)O)S(=O)(=O)O
InChI
InChI=1S/C11H18O12S/c12-4-20-1-6(22-5-13)2-21-11-10(16)9(15)8(14)7(23-11)3-24(17,18)19/h4-11,14-16H,1-3H2,(H,17,18,19)
InChIKey
DKLCQPVBEDSRIC-UHFFFAOYSA-N
Compound name
[6-(2,3-diformyloxypropoxy)-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

374.0519 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.05918 169.9
[M+Na]+ 397.04112 173.1
[M-H]- 373.04462 167.7
[M+NH4]+ 392.08572 177.4
[M+K]+ 413.01506 173.9
[M+H-H2O]+ 357.04916 163.8
[M+HCOO]- 419.05010 177.8
[M+CH3COO]- 433.06575 203.6
[M+Na-2H]- 395.02657 171.1
[M]+ 374.05135 176.6
[M]- 374.05245 176.6
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

No patent data available for this compound.