CID 11019640

4-cyano-n-methoxy-n-methylbenzamide

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

CN(C(=O)C1=CC=C(C=C1)C#N)OC

InChI

InChI=1S/C10H10N2O2/c1-12(14-2)10(13)9-5-3-8(7-11)4-6-9/h3-6H,1-2H3

InChIKey

BZGBXNBROBZKLC-UHFFFAOYSA-N

Compound name

4-cyano-N-methoxy-N-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 244
Patents: 190.07423 Da
Monoisotopic Mass: 1.1
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]+	191.08151	142.2
[M+Na]+	213.06345	151.3
[M-H]-	189.06695	146.7
[M+NH4]+	208.10805	160.0
[M+K]+	229.03739	150.3
[M+H-H2O]+	173.07149	129.2
[M+HCOO]-	235.07243	163.7
[M+CH3COO]-	249.08808	199.9
[M+Na-2H]-	211.04890	146.8
[M]+	190.07368	139.3
[M]-	190.07478	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe