CID 34730

2,2,5,5-tetramethyloxolan-3-ol

Structural Information

Molecular Formula
C8H16O2
SMILES
CC1(CC(C(O1)(C)C)O)C
InChI
InChI=1S/C8H16O2/c1-7(2)5-6(9)8(3,4)10-7/h6,9H,5H2,1-4H3
InChIKey
GKSJXWYSYWFBEY-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

144.11504 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 126.5
[M+Na]+ 167.10426 135.6
[M-H]- 143.10776 130.2
[M+NH4]+ 162.14886 152.4
[M+K]+ 183.07820 135.9
[M+H-H2O]+ 127.11230 124.4
[M+HCOO]- 189.11324 147.3
[M+CH3COO]- 203.12889 172.1
[M+Na-2H]- 165.08971 133.2
[M]+ 144.11449 127.0
[M]- 144.11559 127.0
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

patents stripe