CID 346716

2-phenylbutanohydrazide

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

CCC(C1=CC=CC=C1)C(=O)NN

InChI

InChI=1S/C10H14N2O/c1-2-9(10(13)12-11)8-6-4-3-5-7-8/h3-7,9H,2,11H2,1H3,(H,12,13)

InChIKey

LTQTXTYNNOTAOK-UHFFFAOYSA-N

Compound name

2-phenylbutanehydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 178.11061 Da
Monoisotopic Mass: 1.3
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]+	179.11789	140.3
[M+Na]+	201.09983	145.3
[M-H]-	177.10333	143.2
[M+NH4]+	196.14443	159.3
[M+K]+	217.07377	143.6
[M+H-H2O]+	161.10787	133.7
[M+HCOO]-	223.10881	164.4
[M+CH3COO]-	237.12446	185.7
[M+Na-2H]-	199.08528	144.9
[M]+	178.11006	137.4
[M]-	178.11116	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe