CID 11051859

Junionone

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC(=O)/C=C/C1CCC1(C)C

InChI

InChI=1S/C10H16O/c1-8(11)4-5-9-6-7-10(9,2)3/h4-5,9H,6-7H2,1-3H3/b5-4+

InChIKey

HTLAJCAGSLWZJN-SNAWJCMRSA-N

Compound name

(E)-4-(2,2-dimethylcyclobutyl)but-3-en-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 31
Patents: 152.12012 Da
Monoisotopic Mass: 2.5
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	134.5
[M+Na]+	175.10934	140.7
[M-H]-	151.11284	138.3
[M+NH4]+	170.15394	151.4
[M+K]+	191.08328	142.1
[M+H-H2O]+	135.11738	126.2
[M+HCOO]-	197.11832	155.0
[M+CH3COO]-	211.13397	181.7
[M+Na-2H]-	173.09479	138.5
[M]+	152.11957	143.0
[M]-	152.12067	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe