CID 572955

70987-81-4

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

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

InChI

InChI=1S/C10H16O/c1-7-5-6-10(4,8(7)2)9(3)11/h5-6H2,1-4H3

InChIKey

GADXMBFTJVBEIN-UHFFFAOYSA-N

Compound name

1-(1,2,3-trimethylcyclopent-2-en-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 152.12012 Da
Monoisotopic Mass: 1.3
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]+	153.127396	131.5
[M+Na]+	175.109338	140.3
[M-H]-	151.112844	135.7
[M+NH4]+	170.153943	157.0
[M+K]+	191.083278	139.1
[M+H-H2O]+	135.117380	127.9
[M+HCOO]-	197.118321	154.5
[M+CH3COO]-	211.133971	178.7
[M+Na-2H]-	173.094786	134.8
[M]+	152.11957142	132.2
[M]-	152.12066858	132.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.