CID 2104061

3-propylisoxazol-5-amine

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

CCCC1=NOC(=C1)N

InChI

InChI=1S/C6H10N2O/c1-2-3-5-4-6(7)9-8-5/h4H,2-3,7H2,1H3

InChIKey

NORVABBMTGHGCF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4
Patents: 126.079315 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]+	127.08659	124.1
[M+Na]+	149.06853	135.1
[M+NH4]+	144.11314	132.3
[M+K]+	165.04247	132.0
[M-H]-	125.07204	126.7
[M+Na-2H]-	147.05398	129.4
[M]+	126.07877	126.2
[M]-	126.07986	126.2

Literature stripe

literature stripe

Patent stripe

patents stripe