CID 14758487

61900-44-5

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

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

InChI

InChI=1S/C11H16O/c1-8(2)4-6-10-9(3)5-7-11(10)12/h4H,5-7H2,1-3H3

InChIKey

CLYICGOQOVMKBS-UHFFFAOYSA-N

Compound name

3-methyl-2-(3-methylbut-2-enyl)cyclopent-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 164.12012 Da
Monoisotopic Mass: 2.4
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]+	165.127396	137.1
[M+Na]+	187.109338	144.9
[M-H]-	163.112844	140.8
[M+NH4]+	182.153943	160.1
[M+K]+	203.083278	142.7
[M+H-H2O]+	147.117380	132.4
[M+HCOO]-	209.118321	159.9
[M+CH3COO]-	223.133971	180.6
[M+Na-2H]-	185.094786	138.5
[M]+	164.11957142	137.1
[M]-	164.12066858	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe