CID 16667

2216-68-4

Structural Information

Molecular Formula

C₁₁H₁₁N

SMILES

CNC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C11H11N/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8,12H,1H3

InChIKey

AKEYUWUEAXIBTF-UHFFFAOYSA-N

Compound name

N-methylnaphthalen-1-amine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 2134
Patents: 157.08914 Da
Monoisotopic Mass: 2.9
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]+	158.096416	130.0
[M+Na]+	180.078358	138.2
[M-H]-	156.081864	134.8
[M+NH4]+	175.122963	151.9
[M+K]+	196.052298	134.9
[M+H-H2O]+	140.086400	124.1
[M+HCOO]-	202.087341	154.9
[M+CH3COO]-	216.102991	144.2
[M+Na-2H]-	178.063806	140.3
[M]+	157.08859142	129.1
[M]-	157.08968858	129.1

Literature stripe

literature stripe

Patent stripe

patents stripe