CID 18337183

2219408-19-0

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

C1CNCC1C2=NOC=C2

InChI

InChI=1S/C7H10N2O/c1-3-8-5-6(1)7-2-4-10-9-7/h2,4,6,8H,1,3,5H2

InChIKey

UPYSXYBXOWPKLL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 138.07932 Da
Monoisotopic Mass: 0.2
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]+	139.08660	126.7
[M+Na]+	161.06854	133.6
[M-H]-	137.07204	129.7
[M+NH4]+	156.11314	146.7
[M+K]+	177.04248	133.1
[M+H-H2O]+	121.07658	119.7
[M+HCOO]-	183.07752	147.2
[M+CH3COO]-	197.09317	140.0
[M+Na-2H]-	159.05399	131.4
[M]+	138.07877	123.2
[M]-	138.07987	123.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe