CID 5493004

Valeric acid, 2-(p-nitrophenyl)hydrazide

Structural Information

Molecular Formula

C₁₁H₁₅N₃O₃

SMILES

CCCCC(=O)NNC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H15N3O3/c1-2-3-4-11(15)13-12-9-5-7-10(8-6-9)14(16)17/h5-8,12H,2-4H2,1H3,(H,13,15)

InChIKey

YNBAEPKMVZRBQQ-UHFFFAOYSA-N

Compound name

N'-(4-nitrophenyl)pentanehydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 237.11134 Da
Monoisotopic Mass: 2.6
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]+	238.118616	151.0
[M+Na]+	260.100558	155.4
[M-H]-	236.104064	154.3
[M+NH4]+	255.145163	167.0
[M+K]+	276.074498	149.5
[M+H-H2O]+	220.108600	148.3
[M+HCOO]-	282.109541	177.4
[M+CH3COO]-	296.125191	190.6
[M+Na-2H]-	258.086006	157.8
[M]+	237.11079142	149.2
[M]-	237.11188858	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe