CID 565026

3-oxatetracyclo[5.2.2.01,6.02,4]undecane

Structural Information

Molecular Formula
C10H14O
SMILES
C1CC23CCC1C2CC4C3O4
InChI
InChI=1S/C10H14O/c1-3-10-4-2-6(1)7(10)5-8-9(10)11-8/h6-9H,1-5H2
InChIKey
JAUNSKPQYMPJOJ-UHFFFAOYSA-N
Compound name
3-oxatetracyclo[5.2.2.01,6.02,4]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.10446 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.111736 131.2
[M+Na]+ 173.093678 141.3
[M-H]- 149.097184 138.8
[M+NH4]+ 168.138283 155.5
[M+K]+ 189.067618 139.1
[M+H-H2O]+ 133.101720 128.0
[M+HCOO]- 195.102661 149.9
[M+CH3COO]- 209.118311 145.5
[M+Na-2H]- 171.079126 135.7
[M]+ 150.10391142 133.1
[M]- 150.10500858 133.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.