CID 495124

98203-44-2

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

CC(C)C1COC2(N1C(=O)CC2)C

InChI

InChI=1S/C10H17NO2/c1-7(2)8-6-13-10(3)5-4-9(12)11(8)10/h7-8H,4-6H2,1-3H3

InChIKey

NUUDVADIQSLTCN-UHFFFAOYSA-N

Compound name

7a-methyl-3-propan-2-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.12593 Da
Monoisotopic Mass: 1.2
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]+	184.13321	140.8
[M+Na]+	206.11515	148.8
[M-H]-	182.11865	144.6
[M+NH4]+	201.15975	164.9
[M+K]+	222.08909	148.6
[M+H-H2O]+	166.12319	136.7
[M+HCOO]-	228.12413	159.4
[M+CH3COO]-	242.13978	181.7
[M+Na-2H]-	204.10060	143.2
[M]+	183.12538	140.7
[M]-	183.12648	140.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.