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]+ 141.09100 128.9
[M+Na]+ 163.07294 136.1
[M-H]- 139.07644 133.5
[M+NH4]+ 158.11754 155.3
[M+K]+ 179.04688 136.0
[M+H-H2O]+ 123.08098 125.2
[M+HCOO]- 185.08192 150.4
[M+CH3COO]- 199.09757 170.0
[M+Na-2H]- 161.05839 134.9
[M]+ 140.08317 127.4
[M]- 140.08427 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.