CID 208440

32154-96-4

Structural Information

Molecular Formula

C₁₄H₂₂O₄

SMILES

CC1C2C=CC(C1C3OCCCO3)C2(OC)OC

InChI

InChI=1S/C14H22O4/c1-9-10-5-6-11(14(10,15-2)16-3)12(9)13-17-7-4-8-18-13/h5-6,9-13H,4,7-8H2,1-3H3

InChIKey

NVDBJRBZEDSRSY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 254.15181 Da
Monoisotopic Mass: 1.5
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]+	255.159086	156.5
[M+Na]+	277.141028	163.3
[M-H]-	253.144534	163.6
[M+NH4]+	272.185633	178.3
[M+K]+	293.114968	163.8
[M+H-H2O]+	237.149070	152.8
[M+HCOO]-	299.150011	173.7
[M+CH3COO]-	313.165661	194.1
[M+Na-2H]-	275.126476	159.7
[M]+	254.15126142	159.3
[M]-	254.15235858	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe