CID 5752

Oxyfenamate

Structural Information

Molecular Formula
C11H15NO3
SMILES
CCC(COC(=O)N)(C1=CC=CC=C1)O
InChI
InChI=1S/C11H15NO3/c1-2-11(14,8-15-10(12)13)9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3,(H2,12,13)
InChIKey
WAFIYOULDIWAKR-UHFFFAOYSA-N
Compound name
(2-hydroxy-2-phenylbutyl) carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

505
Patents

209.1052 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 146.8
[M+Na]+ 232.09442 152.4
[M-H]- 208.09792 148.4
[M+NH4]+ 227.13902 164.2
[M+K]+ 248.06836 150.6
[M+H-H2O]+ 192.10246 140.9
[M+HCOO]- 254.10340 167.9
[M+CH3COO]- 268.11905 184.7
[M+Na-2H]- 230.07987 152.2
[M]+ 209.10465 146.2
[M]- 209.10575 146.2
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