CID 302240

Nsc185315

Structural Information

Molecular Formula

C₁₆H₂₂O₆

SMILES

COC1C2C(COC(O2)C3=CC=CC=C3)OC(C1OC)OC

InChI

InChI=1S/C16H22O6/c1-17-13-12-11(21-16(19-3)14(13)18-2)9-20-15(22-12)10-7-5-4-6-8-10/h4-8,11-16H,9H2,1-3H3

InChIKey

ZOYHXXDGSUTGIY-UHFFFAOYSA-N

Compound name

6,7,8-trimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 310.14163 Da
Monoisotopic Mass: 0.9
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]+	311.148906	170.7
[M+Na]+	333.130848	176.3
[M-H]-	309.134354	179.5
[M+NH4]+	328.175453	182.3
[M+K]+	349.104788	178.8
[M+H-H2O]+	293.138890	162.7
[M+HCOO]-	355.139831	185.2
[M+CH3COO]-	369.155481	205.7
[M+Na-2H]-	331.116296	175.6
[M]+	310.14108142	174.2
[M]-	310.14217858	174.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe