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]+ 199.13288 146.8
[M+Na]+ 221.11482 151.5
[M+NH4]+ 216.15942 152.1
[M+K]+ 237.08876 146.8
[M-H]- 197.11832 145.3
[M+Na-2H]- 219.10027 148.9
[M]+ 198.12505 145.7
[M]- 198.12615 145.7
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.