CID 165128476

2-oxaspiro[3.3]heptane-6-carbaldehyde

Structural Information

Molecular Formula
C7H10O2
SMILES
C1C(CC12COC2)C=O
InChI
InChI=1S/C7H10O2/c8-3-6-1-7(2-6)4-9-5-7/h3,6H,1-2,4-5H2
InChIKey
ANNBBSDNIIHSGJ-UHFFFAOYSA-N
Compound name
2-oxaspiro[3.3]heptane-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

126.06808 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 126.6
[M+Na]+ 149.05730 128.6
[M+NH4]+ 144.10190 128.8
[M+K]+ 165.03124 126.1
[M-H]- 125.06080 124.4
[M+Na-2H]- 147.04275 128.1
[M]+ 126.06753 124.2
[M]- 126.06863 124.2
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

patents stripe