CID 5709580

67751-23-9

Structural Information

Molecular Formula

C₈H₁₅NO₃

SMILES

CN(C)/C=C/C(=O)C(OC)OC

InChI

InChI=1S/C8H15NO3/c1-9(2)6-5-7(10)8(11-3)12-4/h5-6,8H,1-4H3/b6-5+

InChIKey

DFZIBCAWOSFLFR-AATRIKPKSA-N

Compound name

(E)-4-(dimethylamino)-1,1-dimethoxybut-3-en-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 379
Patents: 173.1052 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]+	174.11248	138.8
[M+Na]+	196.09442	146.9
[M+NH4]+	191.13902	145.1
[M+K]+	212.06836	143.5
[M-H]-	172.09792	137.4
[M+Na-2H]-	194.07987	141.0
[M]+	173.10465	139.1
[M]-	173.10575	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe