CID 208303

31969-66-1

Structural Information

Molecular Formula

C₁₅H₂₄O₅

SMILES

CC1C2C=CC(C1C3OCC(O3)COC)C2(OC)OC

InChI

InChI=1S/C15H24O5/c1-9-11-5-6-12(15(11,17-3)18-4)13(9)14-19-8-10(20-14)7-16-2/h5-6,9-14H,7-8H2,1-4H3

InChIKey

PLWZFVINYNNODT-UHFFFAOYSA-N

Compound name

2-(7,7-dimethoxy-3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-4-(methoxymethyl)-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 284.16238 Da
Monoisotopic Mass: 1.0
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]+	285.169656	163.7
[M+Na]+	307.151598	171.4
[M-H]-	283.155104	171.3
[M+NH4]+	302.196203	186.1
[M+K]+	323.125538	172.3
[M+H-H2O]+	267.159640	161.7
[M+HCOO]-	329.160581	182.8
[M+CH3COO]-	343.176231	200.5
[M+Na-2H]-	305.137046	164.9
[M]+	284.16183142	170.8
[M]-	284.16292858	170.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe