CID 3058218

Brn 0981839

Structural Information

Molecular Formula

C₁₃H₁₆N₂O

SMILES

CC1=C(C(=CC=C1)C)NCC2=NOC(=C2)C

InChI

InChI=1S/C13H16N2O/c1-9-5-4-6-10(2)13(9)14-8-12-7-11(3)16-15-12/h4-7,14H,8H2,1-3H3

InChIKey

RIVIWFOAUSNYTP-UHFFFAOYSA-N

Compound name

2,6-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 216.12627 Da
Monoisotopic Mass: 3.0
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]+	217.13355	148.7
[M+Na]+	239.11549	157.8
[M-H]-	215.11899	155.5
[M+NH4]+	234.16009	166.8
[M+K]+	255.08943	155.5
[M+H-H2O]+	199.12353	141.4
[M+HCOO]-	261.12447	173.3
[M+CH3COO]-	275.14012	191.8
[M+Na-2H]-	237.10094	153.8
[M]+	216.12572	151.3
[M]-	216.12682	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe