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 133.0
[M+Na]+ 179.06786 139.3
[M-H]- 155.07136 136.4
[M+NH4]+ 174.11246 156.3
[M+K]+ 195.04180 139.2
[M+H-H2O]+ 139.07590 129.3
[M+HCOO]- 201.07684 152.2
[M+CH3COO]- 215.09249 171.9
[M+Na-2H]- 177.05331 135.7
[M]+ 156.07809 130.6
[M]- 156.07919 130.6
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