CID 155895772

5-oxaspiro[3.5]nonan-2-ol

Structural Information

Molecular Formula
C8H14O2
SMILES
C1CCOC2(C1)CC(C2)O
InChI
InChI=1S/C8H14O2/c9-7-5-8(6-7)3-1-2-4-10-8/h7,9H,1-6H2
InChIKey
NCSUAJGHUWKAIY-UHFFFAOYSA-N
Compound name
5-oxaspiro[3.5]nonan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

142.09938 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 123.3
[M+Na]+ 165.088598 127.7
[M-H]- 141.092104 127.9
[M+NH4]+ 160.133203 138.6
[M+K]+ 181.062538 130.8
[M+H-H2O]+ 125.096640 114.2
[M+HCOO]- 187.097581 140.4
[M+CH3COO]- 201.113231 172.6
[M+Na-2H]- 163.074046 131.3
[M]+ 142.09883142 127.2
[M]- 142.09992858 127.2
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

patents stripe