CID 10944310

(r)-((r)-2,2-dimethyl-1,3-dioxolan-4-yl)((s)-2,2-dimethyl-1,3-dioxolan-4-yl)methanol

Structural Information

Molecular Formula
C11H20O5
SMILES
CC1(OC[C@@H](O1)C([C@@H]2COC(O2)(C)C)O)C
InChI
InChI=1S/C11H20O5/c1-10(2)13-5-7(15-10)9(12)8-6-14-11(3,4)16-8/h7-9,12H,5-6H2,1-4H3/t7-,8+,9?
InChIKey
NQJMKBQMFSCMFO-JVHMLUBASA-N
Compound name
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

232.13107 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.138346 148.6
[M+Na]+ 255.120288 155.1
[M-H]- 231.123794 156.3
[M+NH4]+ 250.164893 167.7
[M+K]+ 271.094228 159.0
[M+H-H2O]+ 215.128330 147.2
[M+HCOO]- 277.129271 164.1
[M+CH3COO]- 291.144921 186.4
[M+Na-2H]- 253.105736 153.3
[M]+ 232.13052142 151.3
[M]- 232.13161858 151.3
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