CID 3079351

Md 280449

Structural Information

Molecular Formula

C₁₄H₁₇NO₄

SMILES

COC[C@@H]1[C@@H]2CCC3=C(N2C(=O)O1)C=CC(=C3)OC

InChI

InChI=1S/C14H17NO4/c1-17-8-13-12-5-3-9-7-10(18-2)4-6-11(9)15(12)14(16)19-13/h4,6-7,12-13H,3,5,8H2,1-2H3/t12-,13+/m0/s1

InChIKey

JNNWJURMKZWTMU-QWHCGFSZSA-N

Compound name

(3S,3aS)-7-methoxy-3-(methoxymethyl)-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 263.11575 Da
Monoisotopic Mass: 1.8
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]+	264.123026	157.2
[M+Na]+	286.104968	165.7
[M-H]-	262.108474	161.8
[M+NH4]+	281.149573	175.4
[M+K]+	302.078908	164.2
[M+H-H2O]+	246.113010	150.6
[M+HCOO]-	308.113951	174.8
[M+CH3COO]-	322.129601	197.3
[M+Na-2H]-	284.090416	161.4
[M]+	263.11520142	160.5
[M]-	263.11629858	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.