CID 106735

67634-07-5

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC1C=C(CC(C1C)C=O)C

InChI

InChI=1S/C10H16O/c1-7-4-8(2)9(3)10(5-7)6-11/h4,6,8-10H,5H2,1-3H3

InChIKey

DEMWVPUIZCCHPT-UHFFFAOYSA-N

Compound name

3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 1272
Patents: 152.12012 Da
Monoisotopic Mass: 1.9
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]+	153.12740	131.4
[M+Na]+	175.10934	139.5
[M-H]-	151.11284	135.3
[M+NH4]+	170.15394	153.4
[M+K]+	191.08328	137.9
[M+H-H2O]+	135.11738	126.6
[M+HCOO]-	197.11832	153.2
[M+CH3COO]-	211.13397	179.7
[M+Na-2H]-	173.09479	135.3
[M]+	152.11957	130.7
[M]-	152.12067	130.7

Literature stripe

literature stripe

Patent stripe

patents stripe