CID 32273

3-ethyl-2,2,5,5-tetramethyltetrahydro-3-furanol

Structural Information

Molecular Formula
C10H20O2
SMILES
CCC1(CC(OC1(C)C)(C)C)O
InChI
InChI=1S/C10H20O2/c1-6-10(11)7-8(2,3)12-9(10,4)5/h11H,6-7H2,1-5H3
InChIKey
UGXAYNLMEBQGBH-UHFFFAOYSA-N
Compound name
3-ethyl-2,2,5,5-tetramethyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.14633 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.15361 132.1
[M+Na]+ 195.13555 141.2
[M-H]- 171.13905 135.8
[M+NH4]+ 190.18015 158.8
[M+K]+ 211.10949 141.3
[M+H-H2O]+ 155.14359 130.7
[M+HCOO]- 217.14453 152.2
[M+CH3COO]- 231.16018 178.2
[M+Na-2H]- 193.12100 139.3
[M]+ 172.14578 133.9
[M]- 172.14688 133.9
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.