CID 13487203

123121-05-1

Structural Information

Molecular Formula
C8H13IO
SMILES
C1CC2CC(OC2C1)CI
InChI
InChI=1S/C8H13IO/c9-5-7-4-6-2-1-3-8(6)10-7/h6-8H,1-5H2
InChIKey
TUOKGPUGQNUMBW-UHFFFAOYSA-N
Compound name
2-(iodomethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.00111 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.00839 136.4
[M+Na]+ 274.99033 136.3
[M-H]- 250.99383 133.9
[M+NH4]+ 270.03493 155.9
[M+K]+ 290.96427 141.6
[M+H-H2O]+ 234.99837 128.8
[M+HCOO]- 296.99931 152.4
[M+CH3COO]- 311.01496 182.3
[M+Na-2H]- 272.97578 128.6
[M]+ 252.00056 132.0
[M]- 252.00166 132.0
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

No patent data available for this compound.