CID 24787130

2408959-28-2

Structural Information

Molecular Formula

C₁₂H₁₄N₂O

SMILES

CC(C)(C1=CC=C(C=C1)C2=CC=NO2)N

InChI

InChI=1S/C12H14N2O/c1-12(2,13)10-5-3-9(4-6-10)11-7-8-14-15-11/h3-8H,13H2,1-2H3

InChIKey

IPUSCJVCRRLJSY-UHFFFAOYSA-N

Compound name

2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 202.11061 Da
Monoisotopic Mass: 1.5
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]+	203.11789	144.4
[M+Na]+	225.09983	152.5
[M-H]-	201.10333	150.5
[M+NH4]+	220.14443	162.2
[M+K]+	241.07377	150.6
[M+H-H2O]+	185.10787	137.5
[M+HCOO]-	247.10881	167.1
[M+CH3COO]-	261.12446	186.2
[M+Na-2H]-	223.08528	151.3
[M]+	202.11006	144.4
[M]-	202.11116	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe