CID 100657427

2307772-62-7

Structural Information

Molecular Formula
C8H12O3
SMILES
C1C[C@H]2CO[C@H]([C@H]2C1)C(=O)O
InChI
InChI=1S/C8H12O3/c9-8(10)7-6-3-1-2-5(6)4-11-7/h5-7H,1-4H2,(H,9,10)/t5-,6-,7+/m0/s1
InChIKey
GLKJJVOXLBAMEL-LYFYHCNISA-N
Compound name
(3R,3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

156.07864 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 132.2
[M+Na]+ 179.06786 140.0
[M+NH4]+ 174.11246 140.5
[M+K]+ 195.04180 140.0
[M-H]- 155.07136 133.3
[M+Na-2H]- 177.05331 133.1
[M]+ 156.07809 133.2
[M]- 156.07919 133.2
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