CID 32240

3,5,5-trimethyl-2-cyclopenten-1-one

Structural Information

Molecular Formula

C₈H₁₂O

SMILES

CC1=CC(=O)C(C1)(C)C

InChI

InChI=1S/C8H12O/c1-6-4-7(9)8(2,3)5-6/h4H,5H2,1-3H3

InChIKey

AVXVDNJFGZNVAB-UHFFFAOYSA-N

Compound name

3,5,5-trimethylcyclopent-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 124.08881 Da
Monoisotopic Mass: 1.4
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]+	125.09609	125.0
[M+Na]+	147.07803	136.8
[M+NH4]+	142.12263	135.7
[M+K]+	163.05197	130.5
[M-H]-	123.08153	126.8
[M+Na-2H]-	145.06348	131.9
[M]+	124.08826	127.3
[M]-	124.08936	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe