CID 79921700

1,9-dioxaspiro[5.5]undecane-4-carbaldehyde

Structural Information

Molecular Formula
C10H16O3
SMILES
C1COC2(CCOCC2)CC1C=O
InChI
InChI=1S/C10H16O3/c11-8-9-1-4-13-10(7-9)2-5-12-6-3-10/h8-9H,1-7H2
InChIKey
OXFGYVZAYGFDQQ-UHFFFAOYSA-N
Compound name
1,9-dioxaspiro[5.5]undecane-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.10994 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 139.2
[M+Na]+ 207.09916 143.3
[M-H]- 183.10266 145.0
[M+NH4]+ 202.14376 158.1
[M+K]+ 223.07310 144.7
[M+H-H2O]+ 167.10720 133.3
[M+HCOO]- 229.10814 155.2
[M+CH3COO]- 243.12379 177.5
[M+Na-2H]- 205.08461 146.9
[M]+ 184.10939 134.2
[M]- 184.11049 134.2
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.