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]+ 253.00839 136.4
[M+Na]+ 274.99033 136.3
[M-H]- 250.99383 133.9
[M+NH4]+ 270.03493 157.5
[M+K]+ 290.96427 141.6
[M+H-H2O]+ 234.99837 129.0
[M+HCOO]- 296.99931 152.5
[M+CH3COO]- 311.01496 180.8
[M+Na-2H]- 272.97578 130.2
[M]+ 252.00056 131.8
[M]- 252.00166 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.