CID 3015454

Benzamidine, p-butoxy-, monohydrochloride

Structural Information

Molecular Formula

C₁₁H₁₆N₂O

SMILES

CCCCOC1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C11H16N2O/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3,(H3,12,13)

InChIKey

SQOXELSMFMHGED-UHFFFAOYSA-N

Compound name

4-butoxybenzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 192.12627 Da
Monoisotopic Mass: 2.6
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]+	193.133546	143.8
[M+Na]+	215.115488	149.5
[M-H]-	191.118994	146.7
[M+NH4]+	210.160093	162.5
[M+K]+	231.089428	147.1
[M+H-H2O]+	175.123530	137.2
[M+HCOO]-	237.124471	168.5
[M+CH3COO]-	251.140121	189.7
[M+Na-2H]-	213.100936	148.4
[M]+	192.12572142	142.3
[M]-	192.12681858	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe