CID 20352

4-butoxyaniline

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CCCCOC1=CC=C(C=C1)N

InChI

InChI=1S/C10H15NO/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7H,2-3,8,11H2,1H3

InChIKey

UBRIHZOFEJHMIT-UHFFFAOYSA-N

Compound name

4-butoxyaniline

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 1501
Patents: 165.11537 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]+	166.122646	135.9
[M+Na]+	188.104588	143.0
[M-H]-	164.108094	139.1
[M+NH4]+	183.149193	156.3
[M+K]+	204.078528	140.9
[M+H-H2O]+	148.112630	129.9
[M+HCOO]-	210.113571	160.8
[M+CH3COO]-	224.129221	181.6
[M+Na-2H]-	186.090036	142.1
[M]+	165.11482142	136.3
[M]-	165.11591858	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe