CID 41092

54458-61-6

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

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

InChI

InChI=1S/C9H14O/c1-5-6(2)8(4)9(10)7(5)3/h5,7H,1-4H3

InChIKey

ARUAYSANQMCCEN-UHFFFAOYSA-N

Compound name

2,3,4,5-tetramethylcyclopent-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 172
Patents: 138.10446 Da
Monoisotopic Mass: 1.7
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]+	139.11174	128.9
[M+Na]+	161.09368	141.1
[M+NH4]+	156.13828	138.0
[M+K]+	177.06762	136.7
[M-H]-	137.09718	130.7
[M+Na-2H]-	159.07913	133.5
[M]+	138.10391	131.1
[M]-	138.10501	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe