CID 155970603

Methyl 2-formylspiro[3.5]nonane-7-carboxylate

Structural Information

Molecular Formula
C12H18O3
SMILES
COC(=O)C1CCC2(CC1)CC(C2)C=O
InChI
InChI=1S/C12H18O3/c1-15-11(14)10-2-4-12(5-3-10)6-9(7-12)8-13/h8-10H,2-7H2,1H3
InChIKey
PRKPHGMPVYXHSD-UHFFFAOYSA-N
Compound name
methyl 2-formylspiro[3.5]nonane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.1256 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.132876 144.2
[M+Na]+ 233.114818 148.3
[M-H]- 209.118324 149.1
[M+NH4]+ 228.159423 158.6
[M+K]+ 249.088758 150.2
[M+H-H2O]+ 193.122860 134.3
[M+HCOO]- 255.123801 161.7
[M+CH3COO]- 269.139451 188.5
[M+Na-2H]- 231.100266 147.5
[M]+ 210.12505142 150.3
[M]- 210.12614858 150.3
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.