CID 12230275

8-phenyl-1,4-dioxaspiro[4.5]decane-8-carbaldehyde

Structural Information

Molecular Formula
C15H18O3
SMILES
C1CC2(CCC1(C=O)C3=CC=CC=C3)OCCO2
InChI
InChI=1S/C15H18O3/c16-12-14(13-4-2-1-3-5-13)6-8-15(9-7-14)17-10-11-18-15/h1-5,12H,6-11H2
InChIKey
NWJJFBSWKAAPNW-UHFFFAOYSA-N
Compound name
8-phenyl-1,4-dioxaspiro[4.5]decane-8-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

246.1256 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13288 155.4
[M+Na]+ 269.11482 160.9
[M-H]- 245.11832 164.6
[M+NH4]+ 264.15942 175.2
[M+K]+ 285.08876 160.4
[M+H-H2O]+ 229.12286 148.9
[M+HCOO]- 291.12380 173.4
[M+CH3COO]- 305.13945 167.5
[M+Na-2H]- 267.10027 161.8
[M]+ 246.12505 152.1
[M]- 246.12615 152.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe