CID 146049520

6-methoxyspiro[3.3]heptane-2-carbaldehyde

Structural Information

Molecular Formula
C9H14O2
SMILES
COC1CC2(C1)CC(C2)C=O
InChI
InChI=1S/C9H14O2/c1-11-8-4-9(5-8)2-7(3-9)6-10/h6-8H,2-5H2,1H3
InChIKey
FFOHDYCDFPHHFB-UHFFFAOYSA-N
Compound name
2-methoxyspiro[3.3]heptane-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.09938 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 122.2
[M+Na]+ 177.088598 127.3
[M-H]- 153.092104 127.9
[M+NH4]+ 172.133203 132.2
[M+K]+ 193.062538 132.0
[M+H-H2O]+ 137.096640 110.1
[M+HCOO]- 199.097581 141.2
[M+CH3COO]- 213.113231 189.5
[M+Na-2H]- 175.074046 128.5
[M]+ 154.09883142 138.7
[M]- 154.09992858 138.7
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.