CID 2806321

Maybridge3_001125

Structural Information

Molecular Formula

C₁₃H₁₂N₂O₂

SMILES

C1CC1C(=O)NC2=CC=C(C=C2)C3=CN=CO3

InChI

InChI=1S/C13H12N2O2/c16-13(10-1-2-10)15-11-5-3-9(4-6-11)12-7-14-8-17-12/h3-8,10H,1-2H2,(H,15,16)

InChIKey

PEBNNWSFGOLCJY-UHFFFAOYSA-N

Compound name

N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 228.08987 Da
Monoisotopic Mass: 1.6
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]+	229.097146	147.7
[M+Na]+	251.079088	156.8
[M-H]-	227.082594	157.7
[M+NH4]+	246.123693	159.5
[M+K]+	267.053028	154.0
[M+H-H2O]+	211.087130	139.8
[M+HCOO]-	273.088071	172.0
[M+CH3COO]-	287.103721	160.6
[M+Na-2H]-	249.064536	153.5
[M]+	228.08932142	150.6
[M]-	228.09041858	150.6

Literature stripe

literature stripe

Patent stripe

patents stripe