CID 4064

Meprobamate

Structural Information

Molecular Formula
C9H18N2O4
SMILES
CCCC(C)(COC(=O)N)COC(=O)N
InChI
InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)
InChIKey
NPPQSCRMBWNHMW-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

2970
References

52989
Patents

218.12666 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13394 150.1
[M+Na]+ 241.11588 154.8
[M-H]- 217.11938 149.1
[M+NH4]+ 236.16048 167.4
[M+K]+ 257.08982 155.2
[M+H-H2O]+ 201.12392 144.4
[M+HCOO]- 263.12486 171.5
[M+CH3COO]- 277.14051 191.8
[M+Na-2H]- 239.10133 152.3
[M]+ 218.12611 151.2
[M]- 218.12721 151.2
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