CID 15186065

851434-82-7

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

CC1=NOC(=C1)C2CCCN2

InChI

InChI=1S/C8H12N2O/c1-6-5-8(11-10-6)7-3-2-4-9-7/h5,7,9H,2-4H2,1H3

InChIKey

PJMAXCRZQLWZFH-UHFFFAOYSA-N

Compound name

3-methyl-5-pyrrolidin-2-yl-1,2-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 152.09496 Da
Monoisotopic Mass: 0.7
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]+	153.10224	131.4
[M+Na]+	175.08418	138.8
[M-H]-	151.08768	134.7
[M+NH4]+	170.12878	151.2
[M+K]+	191.05812	138.0
[M+H-H2O]+	135.09222	124.6
[M+HCOO]-	197.09316	151.6
[M+CH3COO]-	211.10881	144.7
[M+Na-2H]-	173.06963	134.9
[M]+	152.09441	128.6
[M]-	152.09551	128.6

Literature stripe

literature stripe

Patent stripe

patents stripe