CID 19875

3973-99-7

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

CC(C1=CC=CC=C1)NNC(=O)C

InChI

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

InChIKey

XBWREKJBIWXMHG-UHFFFAOYSA-N

Compound name

N'-(1-phenylethyl)acetohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 178.11061 Da
Monoisotopic Mass: 1.2
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	139.9
[M+Na]+	201.09983	144.9
[M-H]-	177.10333	143.3
[M+NH4]+	196.14443	159.1
[M+K]+	217.07377	143.5
[M+H-H2O]+	161.10787	133.3
[M+HCOO]-	223.10881	164.6
[M+CH3COO]-	237.12446	186.3
[M+Na-2H]-	199.08528	145.5
[M]+	178.11006	137.9
[M]-	178.11116	137.9

Literature stripe

literature stripe

Patent stripe

patents stripe