CID 137935663

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

Structural Information

Molecular Formula
C11H18O3
SMILES
COC(=O)C1CCC2(CC1)CC(C2)O
InChI
InChI=1S/C11H18O3/c1-14-10(13)8-2-4-11(5-3-8)6-9(12)7-11/h8-9,12H,2-7H2,1H3
InChIKey
MZFGTCAWUPLPAK-UHFFFAOYSA-N
Compound name
methyl 2-hydroxyspiro[3.5]nonane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.1256 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.132876 142.4
[M+Na]+ 221.114818 146.2
[M-H]- 197.118324 146.1
[M+NH4]+ 216.159423 156.7
[M+K]+ 237.088758 148.0
[M+H-H2O]+ 181.122860 132.8
[M+HCOO]- 243.123801 158.5
[M+CH3COO]- 257.139451 183.9
[M+Na-2H]- 219.100266 145.7
[M]+ 198.12505142 147.0
[M]- 198.12614858 147.0
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.