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

1
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

patents stripe