CID 711483

O-mpcpa

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]+	203.08151	148.6
[M+Na]+	225.06345	157.3
[M-H]-	201.06695	151.3
[M+NH4]+	220.10805	165.1
[M+K]+	241.03739	154.4
[M+H-H2O]+	185.07149	135.8
[M+HCOO]-	247.07243	168.1
[M+CH3COO]-	261.08808	198.9
[M+Na-2H]-	223.04890	151.1
[M]+	202.07368	142.8
[M]-	202.07478	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe