CID 21342

4-hydroxycarbaryl

Structural Information

Molecular Formula

C₁₂H₁₁NO₃

SMILES

CNC(=O)OC1=CC=C(C2=CC=CC=C21)O

InChI

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

InChIKey

AXMHCYHGQSQUDN-UHFFFAOYSA-N

Compound name

(4-hydroxynaphthalen-1-yl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 8
Patents: 217.0739 Da
Monoisotopic Mass: 2.0
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	145.4
[M+Na]+	240.06312	158.1
[M+NH4]+	235.10772	153.6
[M+K]+	256.03706	152.1
[M-H]-	216.06662	147.8
[M+Na-2H]-	238.04857	151.8
[M]+	217.07335	147.7
[M]-	217.07445	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe