CID 54682464

Zilascorb

Structural Information

Molecular Formula
C13H12O6
SMILES
C1[C@H](OC(O1)C2=CC=CC=C2)[C@@H]3C(=C(C(=O)O3)O)O
InChI
InChI=1S/C13H12O6/c14-9-10(15)12(16)19-11(9)8-6-17-13(18-8)7-4-2-1-3-5-7/h1-5,8,11,13-15H,6H2/t8-,11+,13?/m0/s1
InChIKey
SWTGJCNCBUCXSS-ISUZDFFFSA-N
Compound name
(2R)-3,4-dihydroxy-2-[(4S)-2-phenyl-1,3-dioxolan-4-yl]-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

37
References

10116
Patents

264.0634 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.07068 153.8
[M+Na]+ 287.05262 161.6
[M-H]- 263.05612 163.8
[M+NH4]+ 282.09722 168.4
[M+K]+ 303.02656 162.2
[M+H-H2O]+ 247.06066 149.5
[M+HCOO]- 309.06160 172.6
[M+CH3COO]- 323.07725 188.8
[M+Na-2H]- 285.03807 155.9
[M]+ 264.06285 155.2
[M]- 264.06395 155.2
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