CID 211591

23420-61-3

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

CC1=C(C=C(C=C1)NC2=NCCO2)C

InChI

InChI=1S/C11H14N2O/c1-8-3-4-10(7-9(8)2)13-11-12-5-6-14-11/h3-4,7H,5-6H2,1-2H3,(H,12,13)

InChIKey

MMIVCLZBEXROHU-UHFFFAOYSA-N

Compound name

N-(3,4-dimethylphenyl)-4,5-dihydro-1,3-oxazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 190.11061 Da
Monoisotopic Mass: 1.9
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]+	191.11789	141.7
[M+Na]+	213.09983	154.6
[M+NH4]+	208.14443	150.6
[M+K]+	229.07377	149.9
[M-H]-	189.10333	147.1
[M+Na-2H]-	211.08528	149.3
[M]+	190.11006	145.1
[M]-	190.11116	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe