CID 12560142

Methyl 4-hydroxybicyclo[2.2.2]octane-1-carboxylate

Structural Information

Molecular Formula
C10H16O3
SMILES
COC(=O)C12CCC(CC1)(CC2)O
InChI
InChI=1S/C10H16O3/c1-13-8(11)9-2-5-10(12,6-3-9)7-4-9/h12H,2-7H2,1H3
InChIKey
LUBWUSMZFMBOIQ-UHFFFAOYSA-N
Compound name
methyl 4-hydroxybicyclo[2.2.2]octane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

184.10994 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 143.5
[M+Na]+ 207.09916 148.1
[M-H]- 183.10266 139.0
[M+NH4]+ 202.14376 170.6
[M+K]+ 223.07310 146.3
[M+H-H2O]+ 167.10720 139.5
[M+HCOO]- 229.10814 153.2
[M+CH3COO]- 243.12379 181.9
[M+Na-2H]- 205.08461 155.2
[M]+ 184.10939 144.5
[M]- 184.11049 144.5
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