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]+ 238.99274 131.4
[M+Na]+ 260.97468 131.7
[M-H]- 236.97818 129.1
[M+NH4]+ 256.01928 151.4
[M+K]+ 276.94862 137.3
[M+H-H2O]+ 220.98272 124.0
[M+HCOO]- 282.98366 147.8
[M+CH3COO]- 296.99931 179.4
[M+Na-2H]- 258.96013 124.2
[M]+ 237.98491 126.7
[M]- 237.98601 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.