CID 112172

69898-48-2

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

CC1CC(=C(C1=O)OC)C

InChI

InChI=1S/C8H12O2/c1-5-4-6(2)8(10-3)7(5)9/h5H,4H2,1-3H3

InChIKey

IMXXGEZPPYRXAP-UHFFFAOYSA-N

Compound name

2-methoxy-3,5-dimethylcyclopent-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 18
Patents: 140.08372 Da
Monoisotopic Mass: 1.2
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]+	141.090996	126.0
[M+Na]+	163.072938	135.8
[M-H]-	139.076444	130.5
[M+NH4]+	158.117543	150.3
[M+K]+	179.046878	135.0
[M+H-H2O]+	123.080980	121.8
[M+HCOO]-	185.081921	150.8
[M+CH3COO]-	199.097571	175.4
[M+Na-2H]-	161.058386	129.7
[M]+	140.08317142	128.2
[M]-	140.08426858	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe