CID 59657862

2580184-24-1

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CC1(CCOC(=O)C1N)C

InChI

InChI=1S/C7H13NO2/c1-7(2)3-4-10-6(9)5(7)8/h5H,3-4,8H2,1-2H3

InChIKey

IMQFFSLZTYBOAZ-UHFFFAOYSA-N

Compound name

3-amino-4,4-dimethyloxan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 143.09464 Da
Monoisotopic Mass: 0.6
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]+	144.10192	129.1
[M+Na]+	166.08386	139.5
[M+NH4]+	161.12846	138.8
[M+K]+	182.05780	133.1
[M-H]-	142.08736	132.3
[M+Na-2H]-	164.06931	134.6
[M]+	143.09409	131.4
[M]-	143.09519	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe