CID 59847207

863127-04-2

Structural Information

Molecular Formula
C9H14O3
SMILES
CO[C@]12CCC[C@]1(CCO2)C=O
InChI
InChI=1S/C9H14O3/c1-11-9-4-2-3-8(9,7-10)5-6-12-9/h7H,2-6H2,1H3/t8-,9-/m0/s1
InChIKey
AHWXEPDZYAZSJY-IUCAKERBSA-N
Compound name
(3aS,6aS)-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

170.0943 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.101576 135.2
[M+Na]+ 193.083518 142.9
[M-H]- 169.087024 140.0
[M+NH4]+ 188.128123 162.4
[M+K]+ 209.057458 143.0
[M+H-H2O]+ 153.091560 132.1
[M+HCOO]- 215.092501 156.6
[M+CH3COO]- 229.108151 174.8
[M+Na-2H]- 191.068966 142.1
[M]+ 170.09375142 135.9
[M]- 170.09484858 135.9
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

patents stripe