CID 3071657

138113-05-0

Structural Information

Molecular Formula

C₁₄H₁₅NO₂

SMILES

COC1=CC2=C(C=CC=C2CCNC=O)C=C1

InChI

InChI=1S/C14H15NO2/c1-17-13-6-5-11-3-2-4-12(14(11)9-13)7-8-15-10-16/h2-6,9-10H,7-8H2,1H3,(H,15,16)

InChIKey

WLNVBLHBIPTPNU-UHFFFAOYSA-N

Compound name

N-[2-(7-methoxynaphthalen-1-yl)ethyl]formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 11
Patents: 229.11028 Da
Monoisotopic Mass: 2.7
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]+	230.117556	149.5
[M+Na]+	252.099498	157.4
[M-H]-	228.103004	154.0
[M+NH4]+	247.144103	168.5
[M+K]+	268.073438	153.9
[M+H-H2O]+	212.107540	142.6
[M+HCOO]-	274.108481	174.0
[M+CH3COO]-	288.124131	194.2
[M+Na-2H]-	250.084946	157.3
[M]+	229.10973142	152.2
[M]-	229.11082858	152.2

Literature stripe

literature stripe

Patent stripe

patents stripe