CID 13360950

95502-31-1

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

CN(C)/C=C/1\COCCC1=O

InChI

InChI=1S/C8H13NO2/c1-9(2)5-7-6-11-4-3-8(7)10/h5H,3-4,6H2,1-2H3/b7-5+

InChIKey

UVSOQLUKPLSKOC-FNORWQNLSA-N

Compound name

(3E)-3-(dimethylaminomethylidene)oxan-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 155.09464 Da
Monoisotopic Mass: -0.2
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]+	156.10192	133.5
[M+Na]+	178.08386	143.8
[M+NH4]+	173.12846	141.7
[M+K]+	194.05780	138.7
[M-H]-	154.08736	136.8
[M+Na-2H]-	176.06931	137.9
[M]+	155.09409	135.6
[M]-	155.09519	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe