CID 85320720

Norbicycloekasantalal

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

CC1(C2CCC(C2)C1=C)CC=O

InChI

InChI=1S/C11H16O/c1-8-9-3-4-10(7-9)11(8,2)5-6-12/h6,9-10H,1,3-5,7H2,2H3

InChIKey

DQFZAJLLIXCPGQ-UHFFFAOYSA-N

Compound name

2-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)acetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 164.12012 Da
Monoisotopic Mass: 2.2
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]+	165.12740	138.4
[M+Na]+	187.10934	146.9
[M-H]-	163.11284	141.4
[M+NH4]+	182.15394	166.5
[M+K]+	203.08328	143.7
[M+H-H2O]+	147.11738	135.2
[M+HCOO]-	209.11832	159.6
[M+CH3COO]-	223.13397	179.7
[M+Na-2H]-	185.09479	141.6
[M]+	164.11957	137.9
[M]-	164.12067	137.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.