CID 102375

3155-71-3

Structural Information

Molecular Formula

C₁₄H₂₂O

SMILES

CC1=C(C(CCC1)(C)C)CC=C(C)C=O

InChI

InChI=1S/C14H22O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h7,10H,5-6,8-9H2,1-4H3

InChIKey

FJCQUJKUMKZEMH-UHFFFAOYSA-N

Compound name

2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enal

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2337
Patents: 206.16707 Da
Monoisotopic Mass: 3.4
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]+	207.17435	147.9
[M+Na]+	229.15629	154.4
[M-H]-	205.15979	151.2
[M+NH4]+	224.20089	169.4
[M+K]+	245.13023	151.9
[M+H-H2O]+	189.16433	143.2
[M+HCOO]-	251.16527	167.6
[M+CH3COO]-	265.18092	189.5
[M+Na-2H]-	227.14174	150.3
[M]+	206.16652	147.2
[M]-	206.16762	147.2

Literature stripe

literature stripe

Patent stripe

patents stripe