CID 132327540

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

Structural Information

Molecular Formula
C8H12O2
SMILES
C1C[C@@H]2[C@](C1)(CCO2)C=O
InChI
InChI=1S/C8H12O2/c9-6-8-3-1-2-7(8)10-5-4-8/h6-7H,1-5H2/t7-,8-/m1/s1
InChIKey
OQGHNEFPLZDBHV-HTQZYQBOSA-N
Compound name
(3aS,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.08372 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 128.9
[M+Na]+ 163.072938 136.1
[M-H]- 139.076444 133.5
[M+NH4]+ 158.117543 155.3
[M+K]+ 179.046878 136.0
[M+H-H2O]+ 123.080980 125.2
[M+HCOO]- 185.081921 150.4
[M+CH3COO]- 199.097571 170.0
[M+Na-2H]- 161.058386 134.9
[M]+ 140.08317142 127.4
[M]- 140.08426858 127.4
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.