CID 54691173

7-hydroxy-6-phenyl-1,2,3-trihydroindolizin-5-one

Structural Information

Molecular Formula
C14H13NO2
SMILES
C1CC2=CC(=C(C(=O)N2C1)C3=CC=CC=C3)O
InChI
InChI=1S/C14H13NO2/c16-12-9-11-7-4-8-15(11)14(17)13(12)10-5-2-1-3-6-10/h1-3,5-6,9,16H,4,7-8H2
InChIKey
LMNBRQVWUBMBHO-UHFFFAOYSA-N
Compound name
7-hydroxy-6-phenyl-2,3-dihydro-1H-indolizin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.09464 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.10192 148.2
[M+Na]+ 250.08386 157.7
[M-H]- 226.08736 153.9
[M+NH4]+ 245.12846 167.4
[M+K]+ 266.05780 152.9
[M+H-H2O]+ 210.09190 141.2
[M+HCOO]- 272.09284 169.6
[M+CH3COO]- 286.10849 161.3
[M+Na-2H]- 248.06931 153.1
[M]+ 227.09409 147.5
[M]- 227.09519 147.5
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.