CID 97907

18685-18-2

Structural Information

Molecular Formula

C₁₉H₂₆O₆

SMILES

CC1(OCC(O1)C2C(C3C(O2)OC(O3)(C)C)OCC4=CC=CC=C4)C

InChI

InChI=1S/C19H26O6/c1-18(2)21-11-13(23-18)14-15(20-10-12-8-6-5-7-9-12)16-17(22-14)25-19(3,4)24-16/h5-9,13-17H,10-11H2,1-4H3

InChIKey

ZHFVGOMEUGAIJX-UHFFFAOYSA-N

Compound name

5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 350.17294 Da
Monoisotopic Mass: 2.0
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]+	351.180216	176.5
[M+Na]+	373.162158	184.0
[M-H]-	349.165664	190.2
[M+NH4]+	368.206763	193.0
[M+K]+	389.136098	187.2
[M+H-H2O]+	333.170200	175.7
[M+HCOO]-	395.171141	191.6
[M+CH3COO]-	409.186791	189.0
[M+Na-2H]-	371.147606	178.3
[M]+	350.17239142	183.0
[M]-	350.17348858	183.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe