CID 34715

29839-58-5

Structural Information

Molecular Formula
C9H18O2
SMILES
CCC1(CC(OC1(C)C)C)O
InChI
InChI=1S/C9H18O2/c1-5-9(10)6-7(2)11-8(9,3)4/h7,10H,5-6H2,1-4H3
InChIKey
KRIRCZNVMJAGJY-UHFFFAOYSA-N
Compound name
3-ethyl-2,2,5-trimethyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.13068 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.137956 131.1
[M+Na]+ 181.119898 139.7
[M-H]- 157.123404 134.6
[M+NH4]+ 176.164503 156.5
[M+K]+ 197.093838 139.8
[M+H-H2O]+ 141.127940 128.9
[M+HCOO]- 203.128881 151.5
[M+CH3COO]- 217.144531 175.1
[M+Na-2H]- 179.105346 137.3
[M]+ 158.13013142 132.0
[M]- 158.13122858 132.0
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

No patent data available for this compound.