CID 3772690

86685-96-3

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

CC1=CC=CC=C1C2=NOC(=C2)N

InChI

InChI=1S/C10H10N2O/c1-7-4-2-3-5-8(7)9-6-10(11)13-12-9/h2-6H,11H2,1H3

InChIKey

YEMOGLHFQCOBPV-UHFFFAOYSA-N

Compound name

3-(2-methylphenyl)-1,2-oxazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 174.07932 Da
Monoisotopic Mass: 2.0
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]+	175.08660	135.6
[M+Na]+	197.06854	149.3
[M+NH4]+	192.11314	144.5
[M+K]+	213.04248	144.9
[M-H]-	173.07204	141.1
[M+Na-2H]-	195.05399	143.9
[M]+	174.07877	139.1
[M]-	174.07987	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe