CID 43191134

1019585-69-3

Structural Information

Molecular Formula

C₁₄H₁₇N

SMILES

CCC(C)NC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C14H17N/c1-3-11(2)15-14-10-6-8-12-7-4-5-9-13(12)14/h4-11,15H,3H2,1-2H3

InChIKey

PMJWYNONKLTWTK-UHFFFAOYSA-N

Compound name

N-butan-2-ylnaphthalen-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 199.1361 Da
Monoisotopic Mass: 4.2
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]+	200.14338	144.8
[M+Na]+	222.12532	151.3
[M-H]-	198.12882	149.1
[M+NH4]+	217.16992	164.9
[M+K]+	238.09926	147.8
[M+H-H2O]+	182.13336	138.3
[M+HCOO]-	244.13430	167.7
[M+CH3COO]-	258.14995	190.6
[M+Na-2H]-	220.11077	152.1
[M]+	199.13555	144.3
[M]-	199.13665	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe