CID 32273

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

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]+ 173.153606 132.1
[M+Na]+ 195.135548 141.2
[M-H]- 171.139054 135.8
[M+NH4]+ 190.180153 158.8
[M+K]+ 211.109488 141.3
[M+H-H2O]+ 155.143590 130.7
[M+HCOO]- 217.144531 152.2
[M+CH3COO]- 231.160181 178.2
[M+Na-2H]- 193.120996 139.3
[M]+ 172.14578142 133.9
[M]- 172.14687858 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.