CID 59857

Brn 4676885

Structural Information

Molecular Formula

C₉H₁₄ClNO₂

SMILES

CC1=C(C(=O)OC1(C)CN(C)C)Cl

InChI

InChI=1S/C9H14ClNO2/c1-6-7(10)8(12)13-9(6,2)5-11(3)4/h5H2,1-4H3

InChIKey

GVZNWFBCWCSSKC-UHFFFAOYSA-N

Compound name

3-chloro-5-[(dimethylamino)methyl]-4,5-dimethylfuran-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 203.0713 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]+	204.07858	140.3
[M+Na]+	226.06052	150.5
[M-H]-	202.06402	146.7
[M+NH4]+	221.10512	163.8
[M+K]+	242.03446	149.6
[M+H-H2O]+	186.06856	137.1
[M+HCOO]-	248.06950	160.7
[M+CH3COO]-	262.08515	190.0
[M+Na-2H]-	224.04597	144.7
[M]+	203.07075	145.9
[M]-	203.07185	145.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.