CID 3687915

116950-01-7

Structural Information

Molecular Formula
C15H19NO3
SMILES
CC12CCCC(=O)N1C(C(O2)C3=CC=CC=C3)CO
InChI
InChI=1S/C15H19NO3/c1-15-9-5-8-13(18)16(15)12(10-17)14(19-15)11-6-3-2-4-7-11/h2-4,6-7,12,14,17H,5,8-10H2,1H3
InChIKey
HMPLCFQDHIGQMF-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)-8a-methyl-2-phenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1365 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14378 160.3
[M+Na]+ 284.12572 171.8
[M+NH4]+ 279.17032 169.7
[M+K]+ 300.09966 165.6
[M-H]- 260.12922 164.2
[M+Na-2H]- 282.11117 165.5
[M]+ 261.13595 163.0
[M]- 261.13705 163.0
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.