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]+	203.117886	144.6
[M+Na]+	225.099828	154.1
[M-H]-	201.103334	151.1
[M+NH4]+	220.144433	162.9
[M+K]+	241.073768	151.7
[M+H-H2O]+	185.107870	137.5
[M+HCOO]-	247.108811	168.9
[M+CH3COO]-	261.124461	188.1
[M+Na-2H]-	223.085276	149.2
[M]+	202.11006142	145.8
[M]-	202.11115858	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe