CID 21350392

4-hydroxy-5-phenyltetrahydro-1,3-oxazin-2-one

Structural Information

Molecular Formula
C10H11NO3
SMILES
C1C(C(NC(=O)O1)O)C2=CC=CC=C2
InChI
InChI=1S/C10H11NO3/c12-9-8(6-14-10(13)11-9)7-4-2-1-3-5-7/h1-5,8-9,12H,6H2,(H,11,13)
InChIKey
XZZMJRBYVRSAOS-UHFFFAOYSA-N
Compound name
4-hydroxy-5-phenyl-1,3-oxazinan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

8
Patents

193.0739 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 140.2
[M+Na]+ 216.06312 146.8
[M-H]- 192.06662 143.4
[M+NH4]+ 211.10772 155.4
[M+K]+ 232.03706 144.5
[M+H-H2O]+ 176.07116 133.2
[M+HCOO]- 238.07210 157.2
[M+CH3COO]- 252.08775 176.3
[M+Na-2H]- 214.04857 145.9
[M]+ 193.07335 135.5
[M]- 193.07445 135.5
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