CID 88671

20730-02-3

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

CCC(=O)NNC1=CC=CC=C1

InChI

InChI=1S/C9H12N2O/c1-2-9(12)11-10-8-6-4-3-5-7-8/h3-7,10H,2H2,1H3,(H,11,12)

InChIKey

HXAKXFPOKDRNCQ-UHFFFAOYSA-N

Compound name

N'-phenylpropanehydrazide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 27
Patents: 164.09496 Da
Monoisotopic Mass: 1.2
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]+	165.10224	134.5
[M+Na]+	187.08418	140.2
[M-H]-	163.08768	138.0
[M+NH4]+	182.12878	154.3
[M+K]+	203.05812	138.6
[M+H-H2O]+	147.09222	128.0
[M+HCOO]-	209.09316	160.5
[M+CH3COO]-	223.10881	182.4
[M+Na-2H]-	185.06963	142.0
[M]+	164.09441	132.8
[M]-	164.09551	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe