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]+ 171.10158 135.2
[M+Na]+ 193.08352 142.9
[M-H]- 169.08702 140.0
[M+NH4]+ 188.12812 162.4
[M+K]+ 209.05746 143.0
[M+H-H2O]+ 153.09156 132.1
[M+HCOO]- 215.09250 156.6
[M+CH3COO]- 229.10815 174.8
[M+Na-2H]- 191.06897 142.1
[M]+ 170.09375 135.9
[M]- 170.09485 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

No patent data available for this compound.