CID 13524333

4278-14-2

Structural Information

Molecular Formula

C₁₃H₁₃NO

SMILES

CCOC(=N)C1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C13H13NO/c1-2-15-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,14H,2H2,1H3

InChIKey

OCAQOWVZZDHCRV-UHFFFAOYSA-N

Compound name

ethyl naphthalene-2-carboximidate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 199.09972 Da
Monoisotopic Mass: 4.1
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]+	200.10700	142.4
[M+Na]+	222.08894	149.7
[M-H]-	198.09244	147.0
[M+NH4]+	217.13354	162.5
[M+K]+	238.06288	146.4
[M+H-H2O]+	182.09698	136.0
[M+HCOO]-	244.09792	166.1
[M+CH3COO]-	258.11357	188.1
[M+Na-2H]-	220.07439	150.3
[M]+	199.09917	142.2
[M]-	199.10027	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe