CID 4962351

2126160-33-4

Structural Information

Molecular Formula

C₁₃H₁₅NO

SMILES

CNCC1=CC2=C(C=C1)C=C(C=C2)OC

InChI

InChI=1S/C13H15NO/c1-14-9-10-3-4-12-8-13(15-2)6-5-11(12)7-10/h3-8,14H,9H2,1-2H3

InChIKey

XCUUFWUNKMAFMQ-UHFFFAOYSA-N

Compound name

1-(6-methoxynaphthalen-2-yl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 201.11537 Da
Monoisotopic Mass: 2.5
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]+	202.12265	142.9
[M+Na]+	224.10459	151.0
[M-H]-	200.10809	147.6
[M+NH4]+	219.14919	163.3
[M+K]+	240.07853	147.8
[M+H-H2O]+	184.11263	136.5
[M+HCOO]-	246.11357	167.3
[M+CH3COO]-	260.12922	189.9
[M+Na-2H]-	222.09004	151.2
[M]+	201.11482	144.5
[M]-	201.11592	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe