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 152.9
[M+Na]+ 257.11079 156.8
[M-H]- 233.11429 150.4
[M+NH4]+ 252.15539 168.5
[M+K]+ 273.08473 157.5
[M+H-H2O]+ 217.11883 147.1
[M+HCOO]- 279.11977 172.0
[M+CH3COO]- 293.13542 192.6
[M+Na-2H]- 255.09624 153.4
[M]+ 234.12102 152.8
[M]- 234.12212 152.8
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

patents stripe