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

53133
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.