CID 642941

1-oxaspiro[2.6]nonane

Structural Information

Molecular Formula
C8H14O
SMILES
C1CCCC2(CC1)CO2
InChI
InChI=1S/C8H14O/c1-2-4-6-8(5-3-1)7-9-8/h1-7H2
InChIKey
DULNQKPEYCYFFO-UHFFFAOYSA-N
Compound name
1-oxaspiro[2.6]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

126.10446 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 119.0
[M+Na]+ 149.09368 123.9
[M-H]- 125.09718 126.4
[M+NH4]+ 144.13828 135.4
[M+K]+ 165.06762 128.1
[M+H-H2O]+ 109.10172 114.1
[M+HCOO]- 171.10266 137.9
[M+CH3COO]- 185.11831 131.9
[M+Na-2H]- 147.07913 128.1
[M]+ 126.10391 115.1
[M]- 126.10501 115.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe