CID 85247137

3-hydroxy-p-mentha-1,8-dien-7-al

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC(=C)C1CCC(=CC1O)C=O

InChI

InChI=1S/C10H14O2/c1-7(2)9-4-3-8(6-11)5-10(9)12/h5-6,9-10,12H,1,3-4H2,2H3

InChIKey

CGYLWHVYZDSTDR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 166.09938 Da
Monoisotopic Mass: 1.3
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]+	167.106656	135.1
[M+Na]+	189.088598	141.8
[M-H]-	165.092104	137.3
[M+NH4]+	184.133203	155.3
[M+K]+	205.062538	139.6
[M+H-H2O]+	149.096640	130.3
[M+HCOO]-	211.097581	154.8
[M+CH3COO]-	225.113231	177.8
[M+Na-2H]-	187.074046	137.8
[M]+	166.09883142	132.3
[M]-	166.09992858	132.3

Literature stripe

literature stripe

Patent stripe

patents stripe