CID 9921310

P-hydroxyfelbamate

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₅

SMILES

C1=CC(=CC=C1C(COC(=O)N)COC(=O)N)O

InChI

InChI=1S/C11H14N2O5/c12-10(15)17-5-8(6-18-11(13)16)7-1-3-9(14)4-2-7/h1-4,8,14H,5-6H2,(H2,12,15)(H2,13,16)

InChIKey

PXBZEVLDFAKFLV-UHFFFAOYSA-N

Compound name

[3-carbamoyloxy-2-(4-hydroxyphenyl)propyl] carbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 7
Patents: 254.09027 Da
Monoisotopic Mass: 0.3
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]+	255.09755	156.0
[M+Na]+	277.07949	162.8
[M+NH4]+	272.12409	160.2
[M+K]+	293.05343	161.0
[M-H]-	253.08299	155.1
[M+Na-2H]-	275.06494	158.0
[M]+	254.08972	155.9
[M]-	254.09082	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe