CID 711483

2-cyano-3-(2-methoxyphenyl)-2-propenamide

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₂

SMILES

COC1=CC=CC=C1/C=C(\C#N)/C(=O)N

InChI

InChI=1S/C11H10N2O2/c1-15-10-5-3-2-4-8(10)6-9(7-12)11(13)14/h2-6H,1H3,(H2,13,14)/b9-6+

InChIKey

KBGJTYDNFFSISF-RMKNXTFCSA-N

Compound name

(E)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 202.07423 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]+	203.081506	148.6
[M+Na]+	225.063448	157.3
[M-H]-	201.066954	151.3
[M+NH4]+	220.108053	165.1
[M+K]+	241.037388	154.4
[M+H-H2O]+	185.071490	135.8
[M+HCOO]-	247.072431	168.1
[M+CH3COO]-	261.088081	198.9
[M+Na-2H]-	223.048896	151.1
[M]+	202.07368142	142.8
[M]-	202.07477858	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe