CID 84648510

5-oxaspiro[2.5]octane-1-carbaldehyde

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CC2(CC2C=O)COC1
InChI
InChI=1S/C8H12O2/c9-5-7-4-8(7)2-1-3-10-6-8/h5,7H,1-4,6H2
InChIKey
ITZWZKPEAUCSCB-UHFFFAOYSA-N
Compound name
5-oxaspiro[2.5]octane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.08372 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 130.4
[M+Na]+ 163.072938 138.8
[M-H]- 139.076444 137.5
[M+NH4]+ 158.117543 148.0
[M+K]+ 179.046878 139.4
[M+H-H2O]+ 123.080980 125.0
[M+HCOO]- 185.081921 150.4
[M+CH3COO]- 199.097571 174.7
[M+Na-2H]- 161.058386 139.0
[M]+ 140.08317142 130.8
[M]- 140.08426858 130.8
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

No patent data available for this compound.