CID 548432

Hydroxy meprobamate

Structural Information

Molecular Formula

C₉H₁₈N₂O₅

SMILES

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

InChI

InChI=1S/C9H18N2O5/c1-6(12)3-9(2,4-15-7(10)13)5-16-8(11)14/h6,12H,3-5H2,1-2H3,(H2,10,13)(H2,11,14)

InChIKey

KYFPTQOMOYSVDJ-UHFFFAOYSA-N

Compound name

[2-(carbamoyloxymethyl)-4-hydroxy-2-methylpentyl] carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 234.12157 Da
Monoisotopic Mass: -0.6
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]+	235.128846	152.9
[M+Na]+	257.110788	156.8
[M-H]-	233.114294	150.4
[M+NH4]+	252.155393	168.5
[M+K]+	273.084728	157.5
[M+H-H2O]+	217.118830	147.1
[M+HCOO]-	279.119771	172.0
[M+CH3COO]-	293.135421	192.6
[M+Na-2H]-	255.096236	153.4
[M]+	234.12102142	152.8
[M]-	234.12211858	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe