CID 109788

68214-72-2

Structural Information

Molecular Formula

C₁₃H₁₃NO₃

SMILES

CCOC(=O)NC1=CC=CC2=C1C=C(C=C2)O

InChI

InChI=1S/C13H13NO3/c1-2-17-13(16)14-12-5-3-4-9-6-7-10(15)8-11(9)12/h3-8,15H,2H2,1H3,(H,14,16)

InChIKey

KJADDPWIRVBKPZ-UHFFFAOYSA-N

Compound name

ethyl N-(7-hydroxynaphthalen-1-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 119
Patents: 231.08954 Da
Monoisotopic Mass: 2.8
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]+	232.09682	150.0
[M+Na]+	254.07876	162.4
[M+NH4]+	249.12336	157.9
[M+K]+	270.05270	156.2
[M-H]-	230.08226	152.3
[M+Na-2H]-	252.06421	156.1
[M]+	231.08899	152.3
[M]-	231.09009	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe