CID 146155465

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

Structural Information

Molecular Formula
C8H12O3
SMILES
CC1(CC2(C1)OCCO2)C=O
InChI
InChI=1S/C8H12O3/c1-7(6-9)4-8(5-7)10-2-3-11-8/h6H,2-5H2,1H3
InChIKey
YOCSNHABVSGGEU-UHFFFAOYSA-N
Compound name
2-methyl-5,8-dioxaspiro[3.4]octane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07864 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 121.9
[M+Na]+ 179.06786 128.5
[M-H]- 155.07136 129.2
[M+NH4]+ 174.11246 139.7
[M+K]+ 195.04180 133.0
[M+H-H2O]+ 139.07590 115.1
[M+HCOO]- 201.07684 142.0
[M+CH3COO]- 215.09249 175.9
[M+Na-2H]- 177.05331 131.5
[M]+ 156.07809 131.4
[M]- 156.07919 131.4
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

No patent data available for this compound.