CID 154814481

2,2-dimethoxyspiro[3.5]nonane-7-carbaldehyde

Structural Information

Molecular Formula
C12H20O3
SMILES
COC1(CC2(C1)CCC(CC2)C=O)OC
InChI
InChI=1S/C12H20O3/c1-14-12(15-2)8-11(9-12)5-3-10(7-13)4-6-11/h7,10H,3-6,8-9H2,1-2H3
InChIKey
ZBFUJUYHYGLKIB-UHFFFAOYSA-N
Compound name
2,2-dimethoxyspiro[3.5]nonane-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.14125 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.14853 149.6
[M+Na]+ 235.13047 155.0
[M+NH4]+ 230.17507 156.6
[M+K]+ 251.10441 147.6
[M-H]- 211.13397 148.8
[M+Na-2H]- 233.11592 154.0
[M]+ 212.14070 149.2
[M]- 212.14180 149.2
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.