CID 36594

33779-66-7

Structural Information

Molecular Formula

C₁₃H₁₃NO₂

SMILES

CC1=C(C2=CC=CC=C2C=C1)OC(=O)NC

InChI

InChI=1S/C13H13NO2/c1-9-7-8-10-5-3-4-6-11(10)12(9)16-13(15)14-2/h3-8H,1-2H3,(H,14,15)

InChIKey

RHCIRZIJAGGYTD-UHFFFAOYSA-N

Compound name

(2-methylnaphthalen-1-yl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 215.09464 Da
Monoisotopic Mass: 3.1
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]+	216.10192	145.7
[M+Na]+	238.08386	153.9
[M-H]-	214.08736	150.7
[M+NH4]+	233.12846	165.5
[M+K]+	254.05780	151.3
[M+H-H2O]+	198.09190	139.3
[M+HCOO]-	260.09284	169.6
[M+CH3COO]-	274.10849	190.7
[M+Na-2H]-	236.06931	152.9
[M]+	215.09409	147.3
[M]-	215.09519	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe