CID 163601

92338-74-4

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₂

SMILES

CC1CCN(C1=O)C2=NOC(=C2)C(C)(C)C

InChI

InChI=1S/C12H18N2O2/c1-8-5-6-14(11(8)15)10-7-9(16-13-10)12(2,3)4/h7-8H,5-6H2,1-4H3

InChIKey

DLQYQOFFVOWSEL-UHFFFAOYSA-N

Compound name

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 222.13683 Da
Monoisotopic Mass: 2.4
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]+	223.14411	150.5
[M+Na]+	245.12605	160.8
[M+NH4]+	240.17065	157.3
[M+K]+	261.09999	160.4
[M-H]-	221.12955	152.3
[M+Na-2H]-	243.11150	154.1
[M]+	222.13628	152.3
[M]-	222.13738	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe