CID 89714995

5bsk1pmt63

Structural Information

Molecular Formula

C₉H₁₂O

SMILES

C=CC1CCC(=CC1)C=O

InChI

InChI=1S/C9H12O/c1-2-8-3-5-9(7-10)6-4-8/h2,5,7-8H,1,3-4,6H2

InChIKey

YQYKLWIDPWLECV-UHFFFAOYSA-N

Compound name

4-ethenylcyclohexene-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 170
Patents: 136.08882 Da
Monoisotopic Mass: 2.0
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]+	137.096096	127.1
[M+Na]+	159.078038	134.0
[M-H]-	135.081544	130.5
[M+NH4]+	154.122643	149.0
[M+K]+	175.051978	132.0
[M+H-H2O]+	119.086080	122.0
[M+HCOO]-	181.087021	149.5
[M+CH3COO]-	195.102671	173.4
[M+Na-2H]-	157.063486	132.8
[M]+	136.08827142	124.6
[M]-	136.08936858	124.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe