CID 46864123

Methyl 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylate

Structural Information

Molecular Formula
C11H18O3
SMILES
COC(=O)C12CCC(CC1)(CC2)CO
InChI
InChI=1S/C11H18O3/c1-14-9(13)11-5-2-10(8-12,3-6-11)4-7-11/h12H,2-8H2,1H3
InChIKey
CNDFZCWNUACFHZ-UHFFFAOYSA-N
Compound name
methyl 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

198.1256 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.13288 145.7
[M+Na]+ 221.11482 153.8
[M+NH4]+ 216.15942 158.2
[M+K]+ 237.08876 144.1
[M-H]- 197.11832 142.7
[M+Na-2H]- 219.10027 145.4
[M]+ 198.12505 146.0
[M]- 198.12615 146.0
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

patents stripe