CID 119380

Abt-418

Structural Information

Molecular Formula

C₉H₁₄N₂O

SMILES

CC1=NOC(=C1)[C@@H]2CCCN2C

InChI

InChI=1S/C9H14N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3/t8-/m0/s1

InChIKey

ILLGYRJAYAAAEW-QMMMGPOBSA-N

Compound name

3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 73
References: 813
Patents: 166.11061 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]+	167.11789	135.1
[M+Na]+	189.09983	143.6
[M-H]-	165.10333	140.1
[M+NH4]+	184.14443	155.5
[M+K]+	205.07377	143.3
[M+H-H2O]+	149.10787	128.3
[M+HCOO]-	211.10881	156.5
[M+CH3COO]-	225.12446	177.6
[M+Na-2H]-	187.08528	137.9
[M]+	166.11006	135.0
[M]-	166.11116	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe