CID 47663

2-benzylamino-2-oxazoline

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

C1COC(=N1)NCC2=CC=CC=C2

InChI

InChI=1S/C10H12N2O/c1-2-4-9(5-3-1)8-12-10-11-6-7-13-10/h1-5H,6-8H2,(H,11,12)

InChIKey

DBCGDMLNSRGMLI-UHFFFAOYSA-N

Compound name

N-benzyl-4,5-dihydro-1,3-oxazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 176.09496 Da
Monoisotopic Mass: 1.1
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]+	177.10224	135.9
[M+Na]+	199.08418	142.4
[M-H]-	175.08768	141.6
[M+NH4]+	194.12878	154.5
[M+K]+	215.05812	141.2
[M+H-H2O]+	159.09222	128.3
[M+HCOO]-	221.09316	160.0
[M+CH3COO]-	235.10881	149.3
[M+Na-2H]-	197.06963	143.8
[M]+	176.09441	134.7
[M]-	176.09551	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe