CID 579041

2'-methoxy-5'-methylformanilide

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CC1=CC(=C(C=C1)OC)NC=O

InChI

InChI=1S/C9H11NO2/c1-7-3-4-9(12-2)8(5-7)10-6-11/h3-6H,1-2H3,(H,10,11)

InChIKey

QYGYXBLCKQDQRD-UHFFFAOYSA-N

Compound name

N-(2-methoxy-5-methylphenyl)formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 165.07898 Da
Monoisotopic Mass: 1.6
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]+	166.086256	132.0
[M+Na]+	188.068198	140.7
[M-H]-	164.071704	136.3
[M+NH4]+	183.112803	152.9
[M+K]+	204.042138	139.3
[M+H-H2O]+	148.076240	126.3
[M+HCOO]-	210.077181	158.3
[M+CH3COO]-	224.092831	181.6
[M+Na-2H]-	186.053646	139.2
[M]+	165.07843142	134.2
[M]-	165.07952858	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe