CID 107253

4292-90-4

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

C1CC2CC1C3C2C4C(C3)O4

InChI

InChI=1S/C10H14O/c1-2-6-3-5(1)7-4-8-10(11-8)9(6)7/h5-10H,1-4H2

InChIKey

FMWMPEUPRYDXRY-UHFFFAOYSA-N

Compound name

4-oxatetracyclo[6.2.1.02,7.03,5]undecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 449
Patents: 150.10446 Da
Monoisotopic Mass: 2.3
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]+	151.111736	131.5
[M+Na]+	173.093678	142.1
[M-H]-	149.097184	137.6
[M+NH4]+	168.138283	155.1
[M+K]+	189.067618	138.9
[M+H-H2O]+	133.101720	128.7
[M+HCOO]-	195.102661	149.4
[M+CH3COO]-	209.118311	145.6
[M+Na-2H]-	171.079126	135.5
[M]+	150.10391142	134.1
[M]-	150.10500858	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe