CID 53021

Isovaleric acid, 2-(p-bromophenyl)hydrazide

Structural Information

Molecular Formula

C₁₁H₁₅BrN₂O

SMILES

CC(C)CC(=O)NNC1=CC=C(C=C1)Br

InChI

InChI=1S/C11H15BrN2O/c1-8(2)7-11(15)14-13-10-5-3-9(12)4-6-10/h3-6,8,13H,7H2,1-2H3,(H,14,15)

InChIKey

UCGFWLWQVLRSCI-UHFFFAOYSA-N

Compound name

N'-(4-bromophenyl)-3-methylbutanehydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 270.03677 Da
Monoisotopic Mass: 3.4
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]+	271.044046	154.6
[M+Na]+	293.025988	162.9
[M-H]-	269.029494	160.2
[M+NH4]+	288.070593	173.7
[M+K]+	308.999928	151.6
[M+H-H2O]+	253.034030	152.7
[M+HCOO]-	315.034971	176.0
[M+CH3COO]-	329.050621	199.8
[M+Na-2H]-	291.011436	159.7
[M]+	270.03622142	171.7
[M]-	270.03731858	171.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe