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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	262.143776	159.5
[M+Na]+	284.125718	166.5
[M-H]-	260.129224	164.7
[M+NH4]+	279.170323	177.6
[M+K]+	300.099658	163.8
[M+H-H2O]+	244.133760	152.7
[M+HCOO]-	306.134701	175.4
[M+CH3COO]-	320.150351	170.9
[M+Na-2H]-	282.111166	162.7
[M]+	261.13595142	157.1
[M]-	261.13704858	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.