CID 14701560

Pantoyllactone glucoside

Structural Information

Molecular Formula
C12H20O8
SMILES
CC1(COC(=O)C1OC2C(C(C(C(O2)CO)O)O)O)C
InChI
InChI=1S/C12H20O8/c1-12(2)4-18-10(17)9(12)20-11-8(16)7(15)6(14)5(3-13)19-11/h5-9,11,13-16H,3-4H2,1-2H3
InChIKey
BFCZPWYLRHFBNO-UHFFFAOYSA-N
Compound name
4,4-dimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1158 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.12308 160.9
[M+Na]+ 315.10502 167.3
[M-H]- 291.10852 163.9
[M+NH4]+ 310.14962 175.1
[M+K]+ 331.07896 167.8
[M+H-H2O]+ 275.11306 157.4
[M+HCOO]- 337.11400 173.0
[M+CH3COO]- 351.12965 192.9
[M+Na-2H]- 313.09047 161.5
[M]+ 292.11525 160.9
[M]- 292.11635 160.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.