CID 3057959

74305-99-0

Structural Information

Molecular Formula

C₁₁H₁₅BrN₂O

SMILES

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

InChI

InChI=1S/C11H15BrN2O/c1-2-3-4-11(15)14-13-10-7-5-9(12)6-8-10/h5-8,13H,2-4H2,1H3,(H,14,15)

InChIKey

IMZIWAIOBUZONR-UHFFFAOYSA-N

Compound name

N'-(4-bromophenyl)pentanehydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 270.03677 Da
Monoisotopic Mass: 3.5
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	153.6
[M+Na]+	293.025988	162.2
[M-H]-	269.029494	159.2
[M+NH4]+	288.070593	172.8
[M+K]+	308.999928	150.4
[M+H-H2O]+	253.034030	151.7
[M+HCOO]-	315.034971	176.0
[M+CH3COO]-	329.050621	199.0
[M+Na-2H]-	291.011436	159.9
[M]+	270.03622142	171.3
[M]-	270.03731858	171.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.