CID 2751156

75039-60-0

Structural Information

Molecular Formula

C₉H₁₃NO₄

SMILES

CC1(OC(=O)C(=CN(C)C)C(=O)O1)C

InChI

InChI=1S/C9H13NO4/c1-9(2)13-7(11)6(5-10(3)4)8(12)14-9/h5H,1-4H3

InChIKey

YKMXFLMJEHHKMU-UHFFFAOYSA-N

Compound name

5-(dimethylaminomethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 199.08446 Da
Monoisotopic Mass: 1.0
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]+	200.09174	141.7
[M+Na]+	222.07368	152.1
[M+NH4]+	217.11828	149.6
[M+K]+	238.04762	146.9
[M-H]-	198.07718	145.1
[M+Na-2H]-	220.05913	145.7
[M]+	199.08391	144.0
[M]-	199.08501	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe