CID 66201008

5-cyclopentylisoxazol-3-amine

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

C1CCC(C1)C2=CC(=NO2)N

InChI

InChI=1S/C8H12N2O/c9-8-5-7(11-10-8)6-3-1-2-4-6/h5-6H,1-4H2,(H2,9,10)

InChIKey

SXLATPWUODSFIA-UHFFFAOYSA-N

Compound name

5-cyclopentyl-1,2-oxazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 152.09496 Da
Monoisotopic Mass: 1.7
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	131.6
[M+Na]+	175.08418	141.3
[M+NH4]+	170.12878	140.3
[M+K]+	191.05812	140.0
[M-H]-	151.08768	135.7
[M+Na-2H]-	173.06963	136.9
[M]+	152.09441	133.8
[M]-	152.09551	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe