CID 2758570

510717-69-8

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

CC1=C(C(=NO1)C)CCN

InChI

InChI=1S/C7H12N2O/c1-5-7(3-4-8)6(2)10-9-5/h3-4,8H2,1-2H3

InChIKey

HOJDTRKLAOLNIT-UHFFFAOYSA-N

Compound name

2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 140.09496 Da
Monoisotopic Mass: 0.5
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]+	141.10224	128.5
[M+Na]+	163.08418	139.7
[M+NH4]+	158.12878	136.5
[M+K]+	179.05812	136.5
[M-H]-	139.08768	131.1
[M+Na-2H]-	161.06963	133.2
[M]+	140.09441	130.6
[M]-	140.09551	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe