CID 92194

3388-03-2

Structural Information

Molecular Formula

C₁₅H₂₂O₄

SMILES

C1CC2C(O2)CC1C3OCC4(CCC5C(C4)O5)CO3

InChI

InChI=1S/C15H22O4/c1-2-10-12(18-10)5-9(1)14-16-7-15(8-17-14)4-3-11-13(6-15)19-11/h9-14H,1-8H2

InChIKey

QHOMCUUGNPEUCT-UHFFFAOYSA-N

Compound name

2-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-7-oxabicyclo[4.1.0]heptane]

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 957
Patents: 266.1518 Da
Monoisotopic Mass: 1.4
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]+	267.159076	167.5
[M+Na]+	289.141018	172.9
[M-H]-	265.144524	178.2
[M+NH4]+	284.185623	171.9
[M+K]+	305.114958	178.1
[M+H-H2O]+	249.149060	160.2
[M+HCOO]-	311.150001	173.3
[M+CH3COO]-	325.165651	175.6
[M+Na-2H]-	287.126466	172.2
[M]+	266.15125142	169.0
[M]-	266.15234858	169.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe