CID 121552589

3-methoxyspiro[3.3]heptan-1-ol

Structural Information

Molecular Formula
C8H14O2
SMILES
COC1CC(C12CCC2)O
InChI
InChI=1S/C8H14O2/c1-10-7-5-6(9)8(7)3-2-4-8/h6-7,9H,2-5H2,1H3
InChIKey
AAGHXCGCSWYTMW-UHFFFAOYSA-N
Compound name
3-methoxyspiro[3.3]heptan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.09938 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 121.0
[M+Na]+ 165.088598 125.9
[M-H]- 141.092104 125.6
[M+NH4]+ 160.133203 130.9
[M+K]+ 181.062538 130.4
[M+H-H2O]+ 125.096640 109.0
[M+HCOO]- 187.097581 138.8
[M+CH3COO]- 201.113231 185.3
[M+Na-2H]- 163.074046 127.2
[M]+ 142.09883142 136.2
[M]- 142.09992858 136.2
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

No patent data available for this compound.