CID 104552

2-(isopropylamino)naphthalene

Structural Information

Molecular Formula

C₁₃H₁₅N

SMILES

CC(C)NC1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C13H15N/c1-10(2)14-13-8-7-11-5-3-4-6-12(11)9-13/h3-10,14H,1-2H3

InChIKey

SIZAEFGOHCBUPV-UHFFFAOYSA-N

Compound name

N-propan-2-ylnaphthalen-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 42
Patents: 185.12045 Da
Monoisotopic Mass: 4.3
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]+	186.127726	140.1
[M+Na]+	208.109668	147.0
[M-H]-	184.113174	144.5
[M+NH4]+	203.154273	160.8
[M+K]+	224.083608	143.8
[M+H-H2O]+	168.117710	133.8
[M+HCOO]-	230.118651	163.3
[M+CH3COO]-	244.134301	187.6
[M+Na-2H]-	206.095116	147.9
[M]+	185.11990142	139.2
[M]-	185.12099858	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe