CID 208306

31969-69-4

Structural Information

Molecular Formula

C₁₃H₂₂O₄

SMILES

CC1(CC2C=CC1C2(OC)OC)C(OC)OC

InChI

InChI=1S/C13H22O4/c1-12(11(14-2)15-3)8-9-6-7-10(12)13(9,16-4)17-5/h6-7,9-11H,8H2,1-5H3

InChIKey

DHAFGCSNDWWQPA-UHFFFAOYSA-N

Compound name

5-(dimethoxymethyl)-7,7-dimethoxy-5-methylbicyclo[2.2.1]hept-2-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.15181 Da
Monoisotopic Mass: 1.3
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]+	243.15909	155.7
[M+Na]+	265.14103	164.2
[M-H]-	241.14453	159.0
[M+NH4]+	260.18563	182.7
[M+K]+	281.11497	163.6
[M+H-H2O]+	225.14907	152.9
[M+HCOO]-	287.15001	176.8
[M+CH3COO]-	301.16566	193.5
[M+Na-2H]-	263.12648	159.6
[M]+	242.15126	163.0
[M]-	242.15236	163.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe