CID 16441

Perillaldehyde

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

CC(=C)C1CCC(=CC1)C=O

InChI

InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3

InChIKey

RUMOYJJNUMEFDD-UHFFFAOYSA-N

Compound name

4-prop-1-en-2-ylcyclohexene-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 113
References: 6069
Patents: 150.10446 Da
Monoisotopic Mass: 2.6
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]+	151.11174	133.6
[M+Na]+	173.09368	145.3
[M+NH4]+	168.13828	142.4
[M+K]+	189.06762	138.6
[M-H]-	149.09718	135.5
[M+Na-2H]-	171.07913	139.1
[M]+	150.10391	135.7
[M]-	150.10501	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe