CID 641505

(r)-4-isopropyl-2-oxazolidinone

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CC(C)[C@@H]1COC(=O)N1

InChI

InChI=1S/C6H11NO2/c1-4(2)5-3-9-6(8)7-5/h4-5H,3H2,1-2H3,(H,7,8)/t5-/m0/s1

InChIKey

YBUPWRYTXGAWJX-YFKPBYRVSA-N

Compound name

(4R)-4-propan-2-yl-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1512
Patents: 129.07898 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]+	130.08626	126.4
[M+Na]+	152.06820	133.5
[M-H]-	128.07170	127.8
[M+NH4]+	147.11280	146.9
[M+K]+	168.04214	133.7
[M+H-H2O]+	112.07624	121.1
[M+HCOO]-	174.07718	145.6
[M+CH3COO]-	188.09283	168.1
[M+Na-2H]-	150.05365	130.3
[M]+	129.07843	124.1
[M]-	129.07953	124.1

Literature stripe

literature stripe

Patent stripe

patents stripe