CID 155820557

2242693-89-4

Structural Information

Molecular Formula
C9H13IO2
SMILES
CCOC(=O)CC12CC(C1)(C2)I
InChI
InChI=1S/C9H13IO2/c1-2-12-7(11)3-8-4-9(10,5-8)6-8/h2-6H2,1H3
InChIKey
REAWFFILFYWVSY-UHFFFAOYSA-N
Compound name
ethyl 2-(3-iodo-1-bicyclo[1.1.1]pentanyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.99603 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.003306 156.1
[M+Na]+ 302.985248 154.8
[M-H]- 278.988754 154.3
[M+NH4]+ 298.029853 159.4
[M+K]+ 318.959188 164.3
[M+H-H2O]+ 262.993290 141.8
[M+HCOO]- 324.994231 165.3
[M+CH3COO]- 339.009881 214.2
[M+Na-2H]- 300.970696 153.2
[M]+ 279.99548142 178.8
[M]- 279.99657858 178.8
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.