CID 11435882

238764-83-5

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₂

SMILES

COC1=CC=C(C=C1)CN2C=NC=C2C=O

InChI

InChI=1S/C12H12N2O2/c1-16-12-4-2-10(3-5-12)7-14-9-13-6-11(14)8-15/h2-6,8-9H,7H2,1H3

InChIKey

DQNBLLSNCBIKLW-UHFFFAOYSA-N

Compound name

3-[(4-methoxyphenyl)methyl]imidazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 216.08987 Da
Monoisotopic Mass: 1.4
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]+	217.097146	145.9
[M+Na]+	239.079088	155.4
[M-H]-	215.082594	150.4
[M+NH4]+	234.123693	163.6
[M+K]+	255.053028	152.3
[M+H-H2O]+	199.087130	137.6
[M+HCOO]-	261.088071	169.7
[M+CH3COO]-	275.103721	186.8
[M+Na-2H]-	237.064536	151.0
[M]+	216.08932142	149.0
[M]-	216.09041858	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe