CID 10953760

216015-22-4

Structural Information

Molecular Formula
C8H12O3
SMILES
CC1(O[C@@H]2C=C[C@H]([C@@H]2O1)O)C
InChI
InChI=1S/C8H12O3/c1-8(2)10-6-4-3-5(9)7(6)11-8/h3-7,9H,1-2H3/t5-,6-,7+/m1/s1
InChIKey
FXOFSGSXPYHEMV-QYNIQEEDSA-N
Compound name
(3aS,4R,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07864 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.085916 129.1
[M+Na]+ 179.067858 138.5
[M-H]- 155.071364 134.1
[M+NH4]+ 174.112463 153.8
[M+K]+ 195.041798 139.2
[M+H-H2O]+ 139.075900 126.8
[M+HCOO]- 201.076841 149.7
[M+CH3COO]- 215.092491 172.3
[M+Na-2H]- 177.053306 135.7
[M]+ 156.07809142 130.9
[M]- 156.07918858 130.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.