CID 79333

M-butylaniline

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

CCCCC1=CC(=CC=C1)N

InChI

InChI=1S/C10H15N/c1-2-3-5-9-6-4-7-10(11)8-9/h4,6-8H,2-3,5,11H2,1H3

InChIKey

WMIQWIJPGVVMII-UHFFFAOYSA-N

Compound name

3-butylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 882
Patents: 149.12045 Da
Monoisotopic Mass: 2.9
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]+	150.127726	132.6
[M+Na]+	172.109668	139.7
[M-H]-	148.113174	135.8
[M+NH4]+	167.154273	153.7
[M+K]+	188.083608	137.2
[M+H-H2O]+	132.117710	126.9
[M+HCOO]-	194.118651	157.3
[M+CH3COO]-	208.134301	179.6
[M+Na-2H]-	170.095116	138.9
[M]+	149.11990142	131.5
[M]-	149.12099858	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe