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 142.4
[M+Na]+ 221.11482 146.2
[M-H]- 197.11832 146.1
[M+NH4]+ 216.15942 156.7
[M+K]+ 237.08876 148.0
[M+H-H2O]+ 181.12286 132.8
[M+HCOO]- 243.12380 158.5
[M+CH3COO]- 257.13945 183.9
[M+Na-2H]- 219.10027 145.7
[M]+ 198.12505 147.0
[M]- 198.12615 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.