CID 53396318

Schembl18603160

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

CCC(C1=CC=CC=C1)C(=NO)N

InChI

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

InChIKey

LBNGVSCNLKMRNM-UHFFFAOYSA-N

Compound name

N'-hydroxy-2-phenylbutanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 178.11061 Da
Monoisotopic Mass: 1.9
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]+	179.117886	140.3
[M+Na]+	201.099828	145.3
[M-H]-	177.103334	143.2
[M+NH4]+	196.144433	159.3
[M+K]+	217.073768	143.6
[M+H-H2O]+	161.107870	133.7
[M+HCOO]-	223.108811	164.4
[M+CH3COO]-	237.124461	185.7
[M+Na-2H]-	199.085276	144.9
[M]+	178.11006142	137.4
[M]-	178.11115858	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.