CID 21789

Fenmetramide

Structural Information

Molecular Formula
C11H13NO2
SMILES
CC1C(OCC(=O)N1)C2=CC=CC=C2
InChI
InChI=1S/C11H13NO2/c1-8-11(14-7-10(13)12-8)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3,(H,12,13)
InChIKey
UJEPHPADGSWWRM-UHFFFAOYSA-N
Compound name
5-methyl-6-phenylmorpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

144
Patents

191.09464 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 141.1
[M+Na]+ 214.08386 147.8
[M-H]- 190.08736 145.5
[M+NH4]+ 209.12846 157.2
[M+K]+ 230.05780 145.6
[M+H-H2O]+ 174.09190 133.8
[M+HCOO]- 236.09284 159.1
[M+CH3COO]- 250.10849 179.6
[M+Na-2H]- 212.06931 146.8
[M]+ 191.09409 137.1
[M]- 191.09519 137.1
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.