CID 96011

1707-77-3

Structural Information

Molecular Formula
C12H22O6
SMILES
CC1(OC[C@@H](O1)[C@H]([C@@H]([C@H]2COC(O2)(C)C)O)O)C
InChI
InChI=1S/C12H22O6/c1-11(2)15-5-7(17-11)9(13)10(14)8-6-16-12(3,4)18-8/h7-10,13-14H,5-6H2,1-4H3/t7-,8-,9-,10-/m1/s1
InChIKey
ODYBCPSCYHAGHA-ZYUZMQFOSA-N
Compound name
(1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

360
Patents

262.14163 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.14891 155.5
[M+Na]+ 285.13085 161.8
[M+NH4]+ 280.17545 163.5
[M+K]+ 301.10479 161.9
[M-H]- 261.13435 159.7
[M+Na-2H]- 283.11630 157.0
[M]+ 262.14108 157.5
[M]- 262.14218 157.5
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