CID 537551

18022-66-7

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

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

InChI

InChI=1S/C9H14O/c1-7-3-4-9(6-10)5-8(7)2/h6,9H,3-5H2,1-2H3

InChIKey

NOJNKSAQZMVMFF-UHFFFAOYSA-N

Compound name

3,4-dimethylcyclohex-3-ene-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 104
Patents: 138.10446 Da
Monoisotopic Mass: 1.0
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]+	139.11174	129.0
[M+Na]+	161.09368	141.6
[M+NH4]+	156.13828	138.4
[M+K]+	177.06762	134.7
[M-H]-	137.09718	131.6
[M+Na-2H]-	159.07913	135.1
[M]+	138.10391	131.5
[M]-	138.10501	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe