CID 3331

Felbamate

Structural Information

Molecular Formula
C11H14N2O4
SMILES
C1=CC=C(C=C1)C(COC(=O)N)COC(=O)N
InChI
InChI=1S/C11H14N2O4/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)
InChIKey
WKGXYQFOCVYPAC-UHFFFAOYSA-N
Compound name
(3-carbamoyloxy-2-phenylpropyl) carbamate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

676
References

14403
Patents

238.09535 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.102626 153.0
[M+Na]+ 261.084568 157.4
[M-H]- 237.088074 155.2
[M+NH4]+ 256.129173 168.8
[M+K]+ 277.058508 156.8
[M+H-H2O]+ 221.092610 145.6
[M+HCOO]- 283.093551 175.9
[M+CH3COO]- 297.109201 194.0
[M+Na-2H]- 259.070016 154.8
[M]+ 238.09480142 152.2
[M]- 238.09589858 152.2
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