CID 121207541

5,8-dioxaspiro[3.4]octane-2-carbaldehyde

Structural Information

Molecular Formula
C7H10O3
SMILES
C1COC2(O1)CC(C2)C=O
InChI
InChI=1S/C7H10O3/c8-5-6-3-7(4-6)9-1-2-10-7/h5-6H,1-4H2
InChIKey
MACODSSJUUMKOE-UHFFFAOYSA-N
Compound name
5,8-dioxaspiro[3.4]octane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

142.06299 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.070266 116.6
[M+Na]+ 165.052208 122.6
[M-H]- 141.055714 123.6
[M+NH4]+ 160.096813 133.0
[M+K]+ 181.026148 127.4
[M+H-H2O]+ 125.060250 108.8
[M+HCOO]- 187.061191 137.0
[M+CH3COO]- 201.076841 173.2
[M+Na-2H]- 163.037656 125.6
[M]+ 142.06244142 125.4
[M]- 142.06353858 125.4
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