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: 19
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]+	175.086596	135.0
[M+Na]+	197.068538	144.5
[M-H]-	173.072044	141.5
[M+NH4]+	192.113143	154.2
[M+K]+	213.042478	142.6
[M+H-H2O]+	157.076580	128.1
[M+HCOO]-	219.077521	160.0
[M+CH3COO]-	233.093171	149.5
[M+Na-2H]-	195.053986	141.5
[M]+	174.07877142	135.2
[M]-	174.07986858	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe