CID 208302

31969-65-0

Structural Information

Molecular Formula

C₁₃H₂₀O₄

SMILES

CC1C2C=CC(C1C3OCCO3)C2(OC)OC

InChI

InChI=1S/C13H20O4/c1-8-9-4-5-10(13(9,14-2)15-3)11(8)12-16-6-7-17-12/h4-5,8-12H,6-7H2,1-3H3

InChIKey

GIENTCXBWZBPMB-UHFFFAOYSA-N

Compound name

2-(7,7-dimethoxy-3-methyl-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: 240.13615 Da
Monoisotopic Mass: 1.1
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]+	241.143426	152.6
[M+Na]+	263.125368	160.5
[M-H]-	239.128874	160.3
[M+NH4]+	258.169973	176.6
[M+K]+	279.099308	161.3
[M+H-H2O]+	223.133410	150.5
[M+HCOO]-	285.134351	172.2
[M+CH3COO]-	299.150001	191.4
[M+Na-2H]-	261.110816	155.0
[M]+	240.13560142	157.2
[M]-	240.13669858	157.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe