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

2
Patents

156.11504 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.122316 125.4
[M+Na]+ 179.104258 129.9
[M-H]- 155.107764 129.8
[M+NH4]+ 174.148863 134.8
[M+K]+ 195.078198 134.3
[M+H-H2O]+ 139.112300 113.3
[M+HCOO]- 201.113241 142.9
[M+CH3COO]- 215.128891 188.0
[M+Na-2H]- 177.089706 131.1
[M]+ 156.11449142 140.9
[M]- 156.11558858 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