CID 6429112

P-mentha-1,4-dien-7-al

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

CC(C)C1=CCC(=CC1)C=O

InChI

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

InChIKey

NIBUJHLMVJZODW-UHFFFAOYSA-N

Compound name

4-propan-2-ylcyclohexa-1,4-diene-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 16
Patents: 150.10446 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]+	151.11174	132.5
[M+Na]+	173.09368	145.1
[M+NH4]+	168.13828	141.7
[M+K]+	189.06762	138.4
[M-H]-	149.09718	134.9
[M+Na-2H]-	171.07913	139.1
[M]+	150.10391	135.0
[M]-	150.10501	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe