CID 165950325

Methyl 1-(iodomethyl)-3-methyl-2-oxabicyclo[2.2.2]octane-4-carboxylate

Structural Information

Molecular Formula
C11H17IO3
SMILES
CC1C2(CCC(O1)(CC2)CI)C(=O)OC
InChI
InChI=1S/C11H17IO3/c1-8-11(9(13)14-2)5-3-10(7-12,15-8)4-6-11/h8H,3-7H2,1-2H3
InChIKey
RXIPSTOPSGUGMT-UHFFFAOYSA-N
Compound name
methyl 1-(iodomethyl)-3-methyl-2-oxabicyclo[2.2.2]octane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.02225 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.02953 144.8
[M+Na]+ 347.01147 143.4
[M-H]- 323.01497 135.8
[M+NH4]+ 342.05607 165.2
[M+K]+ 362.98541 148.8
[M+H-H2O]+ 307.01951 137.0
[M+HCOO]- 369.02045 150.6
[M+CH3COO]- 383.03610 199.0
[M+Na-2H]- 344.99692 145.5
[M]+ 324.02170 146.2
[M]- 324.02280 146.2
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.