CID 222659

Benzenamine, n-(3-methylbutyl)-

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

CC(C)CCNC1=CC=CC=C1

InChI

InChI=1S/C11H17N/c1-10(2)8-9-12-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3

InChIKey

HXKYNBCJKDAHOJ-UHFFFAOYSA-N

Compound name

N-(3-methylbutyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 185
Patents: 163.1361 Da
Monoisotopic Mass: 3.2
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]+	164.14338	137.7
[M+Na]+	186.12532	143.2
[M-H]-	162.12882	140.9
[M+NH4]+	181.16992	158.1
[M+K]+	202.09926	141.2
[M+H-H2O]+	146.13336	131.6
[M+HCOO]-	208.13430	161.7
[M+CH3COO]-	222.14995	183.1
[M+Na-2H]-	184.11077	143.9
[M]+	163.13555	137.0
[M]-	163.13665	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe