CID 155970672

{6-methoxyspiro[3.3]heptan-2-yl}methanol

Structural Information

Molecular Formula
C9H16O2
SMILES
COC1CC2(C1)CC(C2)CO
InChI
InChI=1S/C9H16O2/c1-11-8-4-9(5-8)2-7(3-9)6-10/h7-8,10H,2-6H2,1H3
InChIKey
DRUVBRFXSIQEQM-UHFFFAOYSA-N
Compound name
(2-methoxyspiro[3.3]heptan-6-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

156.11504 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 125.4
[M+Na]+ 179.10426 129.9
[M-H]- 155.10776 129.8
[M+NH4]+ 174.14886 134.8
[M+K]+ 195.07820 134.3
[M+H-H2O]+ 139.11230 113.3
[M+HCOO]- 201.11324 142.9
[M+CH3COO]- 215.12889 188.0
[M+Na-2H]- 177.08971 131.1
[M]+ 156.11449 140.9
[M]- 156.11559 140.9
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