CID 5117

Refchem:910565

Structural Information

Molecular Formula

C₁₄H₁₉NO₃

SMILES

CCCN1CCOC2C1COC3=C2C=C(C=C3)O

InChI

InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3

InChIKey

YOILXOMTHPUMRG-UHFFFAOYSA-N

Compound name

4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 124
References: 176
Patents: 249.13649 Da
Monoisotopic Mass: 2.0
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]+	250.143766	156.3
[M+Na]+	272.125708	162.7
[M-H]-	248.129214	159.4
[M+NH4]+	267.170313	171.0
[M+K]+	288.099648	161.4
[M+H-H2O]+	232.133750	148.7
[M+HCOO]-	294.134691	168.9
[M+CH3COO]-	308.150341	167.0
[M+Na-2H]-	270.111156	162.9
[M]+	249.13594142	155.1
[M]-	249.13703858	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.