CID 10989569

17087-84-2

Structural Information

Molecular Formula
C12H19ClO5
SMILES
CC1(OC[C@@H](O1)[C@@H]2[C@H]3[C@@H]([C@H](O2)Cl)OC(O3)(C)C)C
InChI
InChI=1S/C12H19ClO5/c1-11(2)14-5-6(16-11)7-8-9(10(13)15-7)18-12(3,4)17-8/h6-10H,5H2,1-4H3/t6-,7-,8+,9+,10+/m1/s1
InChIKey
CVRZEBFHLBJQLI-ZJDVBMNYSA-N
Compound name
(3aS,4R,6R,6aS)-4-chloro-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

278.0921 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.09938 152.4
[M+Na]+ 301.08132 161.8
[M+NH4]+ 296.12592 162.8
[M+K]+ 317.05526 161.3
[M-H]- 277.08482 159.8
[M+Na-2H]- 299.06677 154.2
[M]+ 278.09155 156.4
[M]- 278.09265 156.4
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

patents stripe