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]+ 253.008386 136.4
[M+Na]+ 274.990328 136.3
[M-H]- 250.993834 133.9
[M+NH4]+ 270.034933 155.9
[M+K]+ 290.964268 141.6
[M+H-H2O]+ 234.998370 128.8
[M+HCOO]- 296.999311 152.4
[M+CH3COO]- 311.014961 182.3
[M+Na-2H]- 272.975776 128.6
[M]+ 252.00056142 132.0
[M]- 252.00165858 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.