CID 15310464

5-tert-butyloxolan-3-one

Structural Information

Molecular Formula
C8H14O2
SMILES
CC(C)(C)C1CC(=O)CO1
InChI
InChI=1S/C8H14O2/c1-8(2,3)7-4-6(9)5-10-7/h7H,4-5H2,1-3H3
InChIKey
UOYBSXZBFURUMC-UHFFFAOYSA-N
Compound name
5-tert-butyloxolan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.09938 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 129.2
[M+Na]+ 165.08860 136.7
[M-H]- 141.09210 133.5
[M+NH4]+ 160.13320 151.6
[M+K]+ 181.06254 137.4
[M+H-H2O]+ 125.09664 125.4
[M+HCOO]- 187.09758 150.1
[M+CH3COO]- 201.11323 173.0
[M+Na-2H]- 163.07405 135.0
[M]+ 142.09883 129.2
[M]- 142.09993 129.2
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.