CID 54595222

3-ethoxyspiro[3.5]nonan-1-ol

Structural Information

Molecular Formula
C11H20O2
SMILES
CCOC1CC(C12CCCCC2)O
InChI
InChI=1S/C11H20O2/c1-2-13-10-8-9(12)11(10)6-4-3-5-7-11/h9-10,12H,2-8H2,1H3
InChIKey
XNSLECDIDNVTEC-UHFFFAOYSA-N
Compound name
3-ethoxyspiro[3.5]nonan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.14633 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 139.1
[M+Na]+ 207.13555 143.1
[M-H]- 183.13905 142.8
[M+NH4]+ 202.18015 154.2
[M+K]+ 223.10949 144.4
[M+H-H2O]+ 167.14359 129.6
[M+HCOO]- 229.14453 156.0
[M+CH3COO]- 243.16018 182.5
[M+Na-2H]- 205.12100 143.7
[M]+ 184.14578 143.8
[M]- 184.14688 143.8
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