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

2
Annotation Hits: 0
References: 0
Patents: 309.12125 Da
Monoisotopic Mass: 0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	310.128526	169.0
[M+Na]+	332.110468	176.2
[M-H]-	308.113974	172.0
[M+NH4]+	327.155073	182.2
[M+K]+	348.084408	177.2
[M+H-H2O]+	292.118510	162.2
[M+HCOO]-	354.119451	183.4
[M+CH3COO]-	368.135101	203.5
[M+Na-2H]-	330.095916	173.6
[M]+	309.12070142	174.5
[M]-	309.12179858	174.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.