CID 137942440

138943-60-9

Structural Information

Molecular Formula
C7H11IO
SMILES
C1C[C@H]([C@H]2[C@@H]1CCO2)I
InChI
InChI=1S/C7H11IO/c8-6-2-1-5-3-4-9-7(5)6/h5-7H,1-4H2/t5-,6+,7+/m0/s1
InChIKey
AGQNYKRMLVHPGX-RRKCRQDMSA-N
Compound name
(3aS,6R,6aR)-6-iodo-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

237.98546 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.992736 131.4
[M+Na]+ 260.974678 131.7
[M-H]- 236.978184 129.1
[M+NH4]+ 256.019283 151.4
[M+K]+ 276.948618 137.3
[M+H-H2O]+ 220.982720 124.0
[M+HCOO]- 282.983661 147.8
[M+CH3COO]- 296.999311 179.4
[M+Na-2H]- 258.960126 124.2
[M]+ 237.98491142 126.7
[M]- 237.98600858 126.7
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.