CID 13913

Dtxsid50906503

Structural Information

Molecular Formula

C₁₂H₁₄N₂O

SMILES

CN(C)CC1=NOC(=C1)C2=CC=CC=C2

InChI

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

InChIKey

UWMXSCVXWHUWDH-UHFFFAOYSA-N

Compound name

N,N-dimethyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 202.11061 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]+	203.117886	144.2
[M+Na]+	225.099828	151.9
[M-H]-	201.103334	151.8
[M+NH4]+	220.144433	162.7
[M+K]+	241.073768	151.3
[M+H-H2O]+	185.107870	136.3
[M+HCOO]-	247.108811	169.6
[M+CH3COO]-	261.124461	190.0
[M+Na-2H]-	223.085276	150.5
[M]+	202.11006142	146.8
[M]-	202.11115858	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe