CID 5712285

Ns00097801

Structural Information

Molecular Formula

C₁₂H₁₈N₂O

SMILES

CCCCCC1=CC=C(C=C1)/C(=N\O)/N

InChI

InChI=1S/C12H18N2O/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14-15/h6-9,15H,2-5H2,1H3,(H2,13,14)

InChIKey

PZSFSFDZODAZMT-UHFFFAOYSA-N

Compound name

N'-hydroxy-4-pentylbenzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 206.1419 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]+	207.149176	148.6
[M+Na]+	229.131118	154.0
[M-H]-	205.134624	151.4
[M+NH4]+	224.175723	166.8
[M+K]+	245.105058	151.3
[M+H-H2O]+	189.139160	141.8
[M+HCOO]-	251.140101	173.0
[M+CH3COO]-	265.155751	192.0
[M+Na-2H]-	227.116566	152.7
[M]+	206.14135142	147.5
[M]-	206.14244858	147.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.