CID 78410544

Ns00134352

Structural Information

Molecular Formula
C14H20O6
SMILES
CC=CC(=O)OC1C=CC(C(CCC(=O)OC1C)O)O
InChI
InChI=1S/C14H20O6/c1-3-4-13(17)20-12-7-5-10(15)11(16)6-8-14(18)19-9(12)2/h3-5,7,9-12,15-16H,6,8H2,1-2H3
InChIKey
UONWLSGBOITROJ-UHFFFAOYSA-N
Compound name
(6,7-dihydroxy-2-methyl-10-oxo-2,3,6,7,8,9-hexahydrooxecin-3-yl) but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.12598 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.133256 161.1
[M+Na]+ 307.115198 167.2
[M-H]- 283.118704 160.1
[M+NH4]+ 302.159803 172.2
[M+K]+ 323.089138 166.8
[M+H-H2O]+ 267.123240 158.9
[M+HCOO]- 329.124181 176.4
[M+CH3COO]- 343.139831 191.0
[M+Na-2H]- 305.100646 160.3
[M]+ 284.12543142 158.5
[M]- 284.12652858 158.5
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.