CID 12583961

27152-25-6

Structural Information

Molecular Formula

C₉H₁₅NO₃

SMILES

CC(=O)CCC(=O)N1CCOCC1

InChI

InChI=1S/C9H15NO3/c1-8(11)2-3-9(12)10-4-6-13-7-5-10/h2-7H2,1H3

InChIKey

ZSVNDSMYLXYCHV-UHFFFAOYSA-N

Compound name

1-morpholin-4-ylpentane-1,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 185.1052 Da
Monoisotopic Mass: -1.1
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]+	186.11248	141.2
[M+Na]+	208.09442	145.7
[M-H]-	184.09792	143.0
[M+NH4]+	203.13902	157.9
[M+K]+	224.06836	146.6
[M+H-H2O]+	168.10246	134.5
[M+HCOO]-	230.10340	158.3
[M+CH3COO]-	244.11905	180.4
[M+Na-2H]-	206.07987	145.0
[M]+	185.10465	139.6
[M]-	185.10575	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe