CID 91979983

Dtxsid401171141

Structural Information

Molecular Formula

C₁₂H₁₆O

SMILES

CC=C1CC2CC1C3C2CC=CO3

InChI

InChI=1S/C12H16O/c1-2-8-6-9-7-11(8)12-10(9)4-3-5-13-12/h2-3,5,9-12H,4,6-7H2,1H3

InChIKey

OCGLTVXGVCPGAW-UHFFFAOYSA-N

Compound name

10-ethylidene-3-oxatricyclo[6.2.1.02,7]undec-4-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 176.12012 Da
Monoisotopic Mass: 2.3
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]+	177.12740	139.6
[M+Na]+	199.10934	146.9
[M-H]-	175.11284	143.7
[M+NH4]+	194.15394	164.9
[M+K]+	215.08328	144.4
[M+H-H2O]+	159.11738	135.8
[M+HCOO]-	221.11832	157.8
[M+CH3COO]-	235.13397	152.9
[M+Na-2H]-	197.09479	143.3
[M]+	176.11957	137.7
[M]-	176.12067	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe