CID 135454393

3-(2-phenylhydrazono)pentane-2,4-dione

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

C/C(=C(/C(=O)C)\N=NC1=CC=CC=C1)/O

InChI

InChI=1S/C11H12N2O2/c1-8(14)11(9(2)15)13-12-10-6-4-3-5-7-10/h3-7,14H,1-2H3/b11-8+,13-12?

InChIKey

AWQPZXNYDGBBOU-KHAMKPBVSA-N

Compound name

(E)-4-hydroxy-3-phenyldiazenylpent-3-en-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 204.08987 Da
Monoisotopic Mass: 2.7
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]+	205.097146	145.1
[M+Na]+	227.079088	150.5
[M-H]-	203.082594	149.9
[M+NH4]+	222.123693	163.8
[M+K]+	243.053028	149.6
[M+H-H2O]+	187.087130	138.1
[M+HCOO]-	249.088071	170.6
[M+CH3COO]-	263.103721	192.4
[M+Na-2H]-	225.064536	149.6
[M]+	204.08932142	144.8
[M]-	204.09041858	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe