CID 55266801

1211535-89-5

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

CC1=CC(=NO1)C(C)N

InChI

InChI=1S/C6H10N2O/c1-4-3-6(5(2)7)8-9-4/h3,5H,7H2,1-2H3

InChIKey

LEFVDZCQGFWHQB-UHFFFAOYSA-N

Compound name

1-(5-methyl-1,2-oxazol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 126.079315 Da
Monoisotopic Mass: 0.1
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	124.9
[M+Na]+	149.06853	133.4
[M-H]-	125.07204	127.9
[M+NH4]+	144.11314	146.0
[M+K]+	165.04247	133.8
[M+H-H2O]+	109.07658	119.0
[M+HCOO]-	171.07752	148.6
[M+CH3COO]-	185.09317	173.0
[M+Na-2H]-	147.05398	130.6
[M]+	126.07877	124.9
[M]-	126.07986	124.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe