CID 10400039

2-hydroxyfelbamate

Structural Information

Molecular Formula
C11H14N2O5
SMILES
C1=CC=C(C=C1)C(COC(=O)N)(COC(=O)N)O
InChI
InChI=1S/C11H14N2O5/c12-9(14)17-6-11(16,7-18-10(13)15)8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H2,12,14)(H2,13,15)
InChIKey
VTXNIAJKDLEHGX-UHFFFAOYSA-N
Compound name
(3-carbamoyloxy-2-hydroxy-2-phenylpropyl) carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

254.09027 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.097546 154.5
[M+Na]+ 277.079488 158.9
[M-H]- 253.082994 155.4
[M+NH4]+ 272.124093 169.0
[M+K]+ 293.053428 158.1
[M+H-H2O]+ 237.087530 147.7
[M+HCOO]- 299.088471 175.5
[M+CH3COO]- 313.104121 193.3
[M+Na-2H]- 275.064936 158.2
[M]+ 254.08972142 153.4
[M]- 254.09081858 153.4
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