CID 6440866

21034-17-3

Structural Information

Molecular Formula

C₁₃H₁₅N₂O

SMILES

CC1=COC(=[N+]1C)/C=C/NC2=CC=CC=C2

InChI

InChI=1S/C13H14N2O/c1-11-10-16-13(15(11)2)8-9-14-12-6-4-3-5-7-12/h3-10H,1-2H3/p+1

InChIKey

LEBCKQFZGWBEOH-UHFFFAOYSA-O

Compound name

N-[(E)-2-(3,4-dimethyl-1,3-oxazol-3-ium-2-yl)ethenyl]aniline

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 25
Patents: 215.11844 Da
Monoisotopic Mass: 2.9
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]+	216.12572	149.3
[M+Na]+	238.10766	157.6
[M-H]-	214.11116	156.0
[M+NH4]+	233.15226	166.8
[M+K]+	254.08160	149.3
[M+H-H2O]+	198.11570	144.6
[M+HCOO]-	260.11664	173.7
[M+CH3COO]-	274.13229	182.4
[M+Na-2H]-	236.09311	157.5
[M]+	215.11789	149.4
[M]-	215.11899	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe