CID 3049271

64639-81-2

Structural Information

Molecular Formula

C₁₁H₁₁ClN₂O

SMILES

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

InChI

InChI=1S/C11H11ClN2O/c1-13-7-11-14-6-10(15-11)8-2-4-9(12)5-3-8/h2-6,13H,7H2,1H3

InChIKey

SHUYPDDBZLNQIY-UHFFFAOYSA-N

Compound name

1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 222.05598 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]+	223.06326	146.6
[M+Na]+	245.04520	161.1
[M+NH4]+	240.08980	155.7
[M+K]+	261.01914	155.3
[M-H]-	221.04870	152.1
[M+Na-2H]-	243.03065	155.0
[M]+	222.05543	150.6
[M]-	222.05653	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe