CID 10419888

148433-27-6

Structural Information

Molecular Formula

C₈H₁₁NO₄

SMILES

CC(=O)CC(=O)N[C@H]1CCOC1=O

InChI

InChI=1S/C8H11NO4/c1-5(10)4-7(11)9-6-2-3-13-8(6)12/h6H,2-4H2,1H3,(H,9,11)/t6-/m0/s1

InChIKey

FIHPLICEAUNEFV-LURJTMIESA-N

Compound name

3-oxo-N-[(3S)-2-oxooxolan-3-yl]butanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 33
Patents: 185.0688 Da
Monoisotopic Mass: 0.0
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]+	186.07608	138.5
[M+Na]+	208.05802	144.4
[M-H]-	184.06152	142.5
[M+NH4]+	203.10262	158.1
[M+K]+	224.03196	145.3
[M+H-H2O]+	168.06606	133.1
[M+HCOO]-	230.06700	160.7
[M+CH3COO]-	244.08265	181.8
[M+Na-2H]-	206.04347	141.3
[M]+	185.06825	138.3
[M]-	185.06935	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe