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

11
Patents

144.11504 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.122316 126.5
[M+Na]+ 167.104258 135.6
[M-H]- 143.107764 130.2
[M+NH4]+ 162.148863 152.4
[M+K]+ 183.078198 135.9
[M+H-H2O]+ 127.112300 124.4
[M+HCOO]- 189.113241 147.3
[M+CH3COO]- 203.128891 172.1
[M+Na-2H]- 165.089706 133.2
[M]+ 144.11449142 127.0
[M]- 144.11558858 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