CID 643159

Alpha-cyanocinnamic acid

Structural Information

Molecular Formula

C₁₀H₇NO₂

SMILES

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

InChI

InChI=1S/C10H7NO2/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-6H,(H,12,13)/b9-6+

InChIKey

CDUQMGQIHYISOP-RMKNXTFCSA-N

Compound name

(E)-2-cyano-3-phenylprop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 55
References: 4721
Patents: 173.04768 Da
Monoisotopic Mass: 2.2
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]+	174.05496	139.4
[M+Na]+	196.03690	150.3
[M+NH4]+	191.08150	143.4
[M+K]+	212.01084	141.9
[M-H]-	172.04040	132.9
[M+Na-2H]-	194.02235	142.5
[M]+	173.04713	138.1
[M]-	173.04823	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe