CID 91619862

2613385-20-7

Structural Information

Molecular Formula

C₁₂H₁₄N₂O

SMILES

CC1=C(C(=NO1)C)C2=CC=C(C=C2)CN

InChI

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

InChIKey

IHCUAVCKRNKDIL-UHFFFAOYSA-N

Compound name

[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 202.11061 Da
Monoisotopic Mass: 1.7
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	144.7
[M+Na]+	225.09983	158.4
[M+NH4]+	220.14443	153.3
[M+K]+	241.07377	153.7
[M-H]-	201.10333	150.2
[M+Na-2H]-	223.08528	152.2
[M]+	202.11006	148.2
[M]-	202.11116	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe