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]+ 281.00331 156.1
[M+Na]+ 302.98525 154.8
[M-H]- 278.98875 154.3
[M+NH4]+ 298.02985 159.4
[M+K]+ 318.95919 164.3
[M+H-H2O]+ 262.99329 141.8
[M+HCOO]- 324.99423 165.3
[M+CH3COO]- 339.00988 214.2
[M+Na-2H]- 300.97070 153.2
[M]+ 279.99548 178.8
[M]- 279.99658 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.