CID 29888

19972-88-4

Structural Information

Molecular Formula

C₁₄H₁₃NO₃

SMILES

C1=CC=C(C=C1)COC(=O)NC2=CC(=CC=C2)O

InChI

InChI=1S/C14H13NO3/c16-13-8-4-7-12(9-13)15-14(17)18-10-11-5-2-1-3-6-11/h1-9,16H,10H2,(H,15,17)

InChIKey

AJJKAELSCPYHKU-UHFFFAOYSA-N

Compound name

benzyl N-(3-hydroxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 243.08954 Da
Monoisotopic Mass: 2.3
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]+	244.09682	153.1
[M+Na]+	266.07876	159.3
[M-H]-	242.08226	158.5
[M+NH4]+	261.12336	169.2
[M+K]+	282.05270	156.1
[M+H-H2O]+	226.08680	145.5
[M+HCOO]-	288.08774	176.9
[M+CH3COO]-	302.10339	190.4
[M+Na-2H]-	264.06421	159.2
[M]+	243.08899	152.8
[M]-	243.09009	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe