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

0
Patents

234.12157 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.12885 152.4
[M+Na]+ 257.11079 156.0
[M+NH4]+ 252.15539 155.5
[M+K]+ 273.08473 156.3
[M-H]- 233.11429 148.0
[M+Na-2H]- 255.09624 150.9
[M]+ 234.12102 150.8
[M]- 234.12212 150.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.