CID 9921310

P-hydroxyfelbamate

Structural Information

Molecular Formula
C11H14N2O5
SMILES
C1=CC(=CC=C1C(COC(=O)N)COC(=O)N)O
InChI
InChI=1S/C11H14N2O5/c12-10(15)17-5-8(6-18-11(13)16)7-1-3-9(14)4-2-7/h1-4,8,14H,5-6H2,(H2,12,15)(H2,13,16)
InChIKey
PXBZEVLDFAKFLV-UHFFFAOYSA-N
Compound name
[3-carbamoyloxy-2-(4-hydroxyphenyl)propyl] carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

254.09027 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09755 155.4
[M+Na]+ 277.07949 160.1
[M-H]- 253.08299 156.5
[M+NH4]+ 272.12409 170.1
[M+K]+ 293.05343 159.4
[M+H-H2O]+ 237.08753 148.2
[M+HCOO]- 299.08847 177.0
[M+CH3COO]- 313.10412 195.2
[M+Na-2H]- 275.06494 156.1
[M]+ 254.08972 154.6
[M]- 254.09082 154.6
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