CID 67240

132-63-8

Structural Information

Molecular Formula

C₁₂H₁₁NO₃

SMILES

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

InChI

InChI=1S/C12H11NO3/c1-16-12(15)13-11-4-2-3-8-5-6-9(14)7-10(8)11/h2-7,14H,1H3,(H,13,15)

InChIKey

DZNFLGGCJZUMEM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 163
Patents: 217.0739 Da
Monoisotopic Mass: 1.9
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]+	218.08118	144.4
[M+Na]+	240.06312	152.5
[M-H]-	216.06662	148.1
[M+NH4]+	235.10772	163.2
[M+K]+	256.03706	149.8
[M+H-H2O]+	200.07116	138.2
[M+HCOO]-	262.07210	167.2
[M+CH3COO]-	276.08775	187.4
[M+Na-2H]-	238.04857	151.6
[M]+	217.07335	145.2
[M]-	217.07445	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe