CID 44149290

Be9atz7vuw

Structural Information

Molecular Formula
C15H19NO6
SMILES
CC1=NC=C(C2=C1OC(OC2)(C)C)COC(=O)CCC(=O)O
InChI
InChI=1S/C15H19NO6/c1-9-14-11(8-21-15(2,3)22-14)10(6-16-9)7-20-13(19)5-4-12(17)18/h6H,4-5,7-8H2,1-3H3,(H,17,18)
InChIKey
QXAWEIDCMROCDU-UHFFFAOYSA-N
Compound name
4-oxo-4-[(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methoxy]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.12125 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.12853 169.0
[M+Na]+ 332.11047 176.2
[M-H]- 308.11397 172.0
[M+NH4]+ 327.15507 182.2
[M+K]+ 348.08441 177.2
[M+H-H2O]+ 292.11851 162.2
[M+HCOO]- 354.11945 183.4
[M+CH3COO]- 368.13510 203.5
[M+Na-2H]- 330.09592 173.6
[M]+ 309.12070 174.5
[M]- 309.12180 174.5
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.