CID 53020

74305-98-9

Structural Information

Molecular Formula

C₁₀H₁₃BrN₂O

SMILES

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

InChI

InChI=1S/C10H13BrN2O/c1-2-3-10(14)13-12-9-6-4-8(11)5-7-9/h4-7,12H,2-3H2,1H3,(H,13,14)

InChIKey

STPHYKOKHWXZMH-UHFFFAOYSA-N

Compound name

N'-(4-bromophenyl)butanehydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 256.02112 Da
Monoisotopic Mass: 2.9
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]+	257.028396	149.0
[M+Na]+	279.010338	158.1
[M-H]-	255.013844	154.8
[M+NH4]+	274.054943	168.8
[M+K]+	294.984278	146.5
[M+H-H2O]+	239.018380	147.3
[M+HCOO]-	301.019321	171.7
[M+CH3COO]-	315.034971	196.2
[M+Na-2H]-	276.995786	155.9
[M]+	256.02057142	166.4
[M]-	256.02166858	166.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.