CID 2466733

2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-1h-pyrrole-3-carbaldehyde

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

CC1=CC(=C(N1C2=NOC(=C2)C)C)C=O

InChI

InChI=1S/C11H12N2O2/c1-7-4-10(6-14)9(3)13(7)11-5-8(2)15-12-11/h4-6H,1-3H3

InChIKey

NDTIIGDOZXVDOY-UHFFFAOYSA-N

Compound name

2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 204.08987 Da
Monoisotopic Mass: 1.8
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]+	205.097146	140.7
[M+Na]+	227.079088	153.5
[M-H]-	203.082594	147.4
[M+NH4]+	222.123693	160.4
[M+K]+	243.053028	151.9
[M+H-H2O]+	187.087130	134.4
[M+HCOO]-	249.088071	166.2
[M+CH3COO]-	263.103721	186.2
[M+Na-2H]-	225.064536	144.1
[M]+	204.08932142	147.2
[M]-	204.09041858	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.