CID 11094992

163849-08-9

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

CC1=NOC(=C1)[C@@H]2CCC(=O)N2

InChI

InChI=1S/C8H10N2O2/c1-5-4-7(12-10-5)6-2-3-8(11)9-6/h4,6H,2-3H2,1H3,(H,9,11)/t6-/m0/s1

InChIKey

ACJNGHUXJVMXRT-LURJTMIESA-N

Compound name

(5S)-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 166.07423 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]+	167.08151	134.5
[M+Na]+	189.06345	145.0
[M+NH4]+	184.10805	141.9
[M+K]+	205.03739	144.3
[M-H]-	165.06695	136.5
[M+Na-2H]-	187.04890	138.7
[M]+	166.07368	136.2
[M]-	166.07478	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe