CID 3049267

2-oxazolemethanamine, n-methyl-5-phenyl-, monohydrochloride

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

CNCC1=NC=C(O1)C2=CC=CC=C2

InChI

InChI=1S/C11H12N2O/c1-12-8-11-13-7-10(14-11)9-5-3-2-4-6-9/h2-7,12H,8H2,1H3

InChIKey

UVGATRRMOLADKV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 188.09496 Da
Monoisotopic Mass: 2.4
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]+	189.102236	139.0
[M+Na]+	211.084178	147.1
[M-H]-	187.087684	145.4
[M+NH4]+	206.128783	157.5
[M+K]+	227.058118	145.3
[M+H-H2O]+	171.092220	131.6
[M+HCOO]-	233.093161	164.3
[M+CH3COO]-	247.108811	183.5
[M+Na-2H]-	209.069626	146.7
[M]+	188.09441142	140.1
[M]-	188.09550858	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe