CID 34723

29839-67-6

Structural Information

Molecular Formula
C8H16O3
SMILES
CC1(C(C(C(O1)(C)C)O)O)C
InChI
InChI=1S/C8H16O3/c1-7(2)5(9)6(10)8(3,4)11-7/h5-6,9-10H,1-4H3
InChIKey
WVXOZBMNWUBMPZ-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyloxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.10994 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.117216 129.4
[M+Na]+ 183.099158 138.8
[M-H]- 159.102664 131.9
[M+NH4]+ 178.143763 154.1
[M+K]+ 199.073098 138.7
[M+H-H2O]+ 143.107200 127.8
[M+HCOO]- 205.108141 148.8
[M+CH3COO]- 219.123791 172.9
[M+Na-2H]- 181.084606 135.2
[M]+ 160.10939142 129.9
[M]- 160.11048858 129.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.