CID 9690108

Brn 5545431

Structural Information

Molecular Formula

C₁₃H₁₆N₂O₂

SMILES

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

InChI

InChI=1S/C13H16N2O2/c1-10(8-12-6-4-3-5-7-12)9-14-15-11(2)13(16)17/h3-8,14H,9H2,1-2H3,(H,16,17)/b10-8+,15-11+

InChIKey

XTRIRFWVSULCBP-WSZGUFMCSA-N

Compound name

(2E)-2-[[(E)-2-methyl-3-phenylprop-2-enyl]hydrazinylidene]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 232.12119 Da
Monoisotopic Mass: 3.6
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]+	233.12847	154.8
[M+Na]+	255.11041	158.9
[M-H]-	231.11391	157.8
[M+NH4]+	250.15501	171.6
[M+K]+	271.08435	156.7
[M+H-H2O]+	215.11845	147.7
[M+HCOO]-	277.11939	178.2
[M+CH3COO]-	291.13504	196.0
[M+Na-2H]-	253.09586	157.7
[M]+	232.12064	153.3
[M]-	232.12174	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe