CID 208304

5-(1,3-dioxolan-2-yl)-2-norbornen-7-one dimethyl acetal

Structural Information

Molecular Formula

C₁₂H₁₈O₄

SMILES

COC1(C2CC(C1C=C2)C3OCCO3)OC

InChI

InChI=1S/C12H18O4/c1-13-12(14-2)8-3-4-10(12)9(7-8)11-15-5-6-16-11/h3-4,8-11H,5-7H2,1-2H3

InChIKey

RWDPSVIWBHLBRZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 226.12051 Da
Monoisotopic Mass: 0.7
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]+	227.127786	148.3
[M+Na]+	249.109728	155.8
[M-H]-	225.113234	155.8
[M+NH4]+	244.154333	172.6
[M+K]+	265.083668	156.9
[M+H-H2O]+	209.117770	146.0
[M+HCOO]-	271.118711	168.4
[M+CH3COO]-	285.134361	187.3
[M+Na-2H]-	247.095176	151.8
[M]+	226.11996142	152.2
[M]-	226.12105858	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe