CID 60153396

N-propargylnaphtylamine

Structural Information

Molecular Formula

C₁₃H₁₁N

SMILES

C#CCNC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C13H11N/c1-2-10-14-13-9-5-7-11-6-3-4-8-12(11)13/h1,3-9,14H,10H2

InChIKey

FXKHLKIXEAWBFQ-UHFFFAOYSA-N

Compound name

N-prop-2-ynylnaphthalen-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 181.08914 Da
Monoisotopic Mass: 3.0
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]+	182.09642	143.9
[M+Na]+	204.07836	157.8
[M+NH4]+	199.12296	150.4
[M+K]+	220.05230	146.1
[M-H]-	180.08186	140.1
[M+Na-2H]-	202.06381	149.1
[M]+	181.08859	144.2
[M]-	181.08969	144.2

Literature stripe

literature stripe

Patent stripe

patents stripe