CID 201072

3188-57-6

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

C1C2CC(C1C3C2C4C(C3)O4)O

InChI

InChI=1S/C10H14O2/c11-7-2-4-1-5(7)6-3-8-10(12-8)9(4)6/h4-11H,1-3H2

InChIKey

GRGUGHOMWLKRBP-UHFFFAOYSA-N

Compound name

4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 166.09938 Da
Monoisotopic Mass: 0.8
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]+	167.106656	133.4
[M+Na]+	189.088598	144.4
[M-H]-	165.092104	138.5
[M+NH4]+	184.133203	156.0
[M+K]+	205.062538	140.4
[M+H-H2O]+	149.096640	131.4
[M+HCOO]-	211.097581	149.9
[M+CH3COO]-	225.113231	147.1
[M+Na-2H]-	187.074046	136.8
[M]+	166.09883142	136.3
[M]-	166.09992858	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe