CID 5153080

4-phenylmorpholin-3-on

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1COCC(=O)N1C2=CC=CC=C2
InChI
InChI=1S/C10H11NO2/c12-10-8-13-7-6-11(10)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey
SIWXCJHUZAEIAE-UHFFFAOYSA-N
Compound name
4-phenylmorpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

336
Patents

177.07898 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 135.8
[M+Na]+ 200.06820 142.3
[M-H]- 176.07170 141.3
[M+NH4]+ 195.11280 152.8
[M+K]+ 216.04214 141.4
[M+H-H2O]+ 160.07624 128.2
[M+HCOO]- 222.07718 155.6
[M+CH3COO]- 236.09283 178.0
[M+Na-2H]- 198.05365 143.2
[M]+ 177.07843 132.8
[M]- 177.07953 132.8
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