CID 34716

29839-59-6

Structural Information

Molecular Formula
C8H16O2
SMILES
CCC1C(CC(O1)(C)C)O
InChI
InChI=1S/C8H16O2/c1-4-7-6(9)5-8(2,3)10-7/h6-7,9H,4-5H2,1-3H3
InChIKey
YKCGOADDFIPXPB-UHFFFAOYSA-N
Compound name
2-ethyl-5,5-dimethyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

144.11504 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.122316 129.4
[M+Na]+ 167.104258 137.4
[M-H]- 143.107764 132.6
[M+NH4]+ 162.148863 153.2
[M+K]+ 183.078198 137.5
[M+H-H2O]+ 127.112300 126.2
[M+HCOO]- 189.113241 150.1
[M+CH3COO]- 203.128891 172.3
[M+Na-2H]- 165.089706 134.5
[M]+ 144.11449142 129.4
[M]- 144.11558858 129.4
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