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]+ 157.08592 129.1
[M+Na]+ 179.06786 138.5
[M-H]- 155.07136 134.1
[M+NH4]+ 174.11246 153.8
[M+K]+ 195.04180 139.2
[M+H-H2O]+ 139.07590 126.8
[M+HCOO]- 201.07684 149.7
[M+CH3COO]- 215.09249 172.3
[M+Na-2H]- 177.05331 135.7
[M]+ 156.07809 130.9
[M]- 156.07919 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.