CID 10400039

2-hydroxyfelbamate

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₅

SMILES

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

InChI

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

InChIKey

VTXNIAJKDLEHGX-UHFFFAOYSA-N

Compound name

(3-carbamoyloxy-2-hydroxy-2-phenylpropyl) carbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 15
Patents: 254.09027 Da
Monoisotopic Mass: -0.5
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	154.5
[M+Na]+	277.07949	158.9
[M-H]-	253.08299	155.4
[M+NH4]+	272.12409	169.0
[M+K]+	293.05343	158.1
[M+H-H2O]+	237.08753	147.7
[M+HCOO]-	299.08847	175.5
[M+CH3COO]-	313.10412	193.3
[M+Na-2H]-	275.06494	158.2
[M]+	254.08972	153.4
[M]-	254.09082	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe