CID 34723

2,2,5,5-tetramethyltetrahydro-3,4-furandiol

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]+ 161.11722 129.4
[M+Na]+ 183.09916 138.8
[M-H]- 159.10266 131.9
[M+NH4]+ 178.14376 154.1
[M+K]+ 199.07310 138.7
[M+H-H2O]+ 143.10720 127.8
[M+HCOO]- 205.10814 148.8
[M+CH3COO]- 219.12379 172.9
[M+Na-2H]- 181.08461 135.2
[M]+ 160.10939 129.9
[M]- 160.11049 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.