CID 75467

N-butylbenzylamine

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

CCCCNCC1=CC=CC=C1

InChI

InChI=1S/C11H17N/c1-2-3-9-12-10-11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3

InChIKey

HIPXPABRMMYVQD-UHFFFAOYSA-N

Compound name

N-benzylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1638
Patents: 163.1361 Da
Monoisotopic Mass: 2.7
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	136.9
[M+Na]+	186.12532	142.6
[M-H]-	162.12882	140.0
[M+NH4]+	181.16992	157.4
[M+K]+	202.09926	140.2
[M+H-H2O]+	146.13336	130.7
[M+HCOO]-	208.13430	161.9
[M+CH3COO]-	222.14995	182.3
[M+Na-2H]-	184.11077	144.5
[M]+	163.13555	136.8
[M]-	163.13665	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe