CID 165605973

Rac-(3ar,6ar)-6a-(iodomethyl)-hexahydro-2h-cyclopenta[b]furan

Structural Information

Molecular Formula
C8H13IO
SMILES
C1CC2CCOC2(C1)CI
InChI
InChI=1S/C8H13IO/c9-6-8-4-1-2-7(8)3-5-10-8/h7H,1-6H2
InChIKey
IBZHPRXRZOQPSA-UHFFFAOYSA-N
Compound name
6a-(iodomethyl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.00111 Da
Monoisotopic Mass

2.3
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 157.5
[M+K]+ 290.964268 141.6
[M+H-H2O]+ 234.998370 129.0
[M+HCOO]- 296.999311 152.5
[M+CH3COO]- 311.014961 180.8
[M+Na-2H]- 272.975776 130.2
[M]+ 252.00056142 131.8
[M]- 252.00165858 131.8
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.