CID 20750367

4-tert-butyloxolan-3-one

Structural Information

Molecular Formula
C8H14O2
SMILES
CC(C)(C)C1COCC1=O
InChI
InChI=1S/C8H14O2/c1-8(2,3)6-4-10-5-7(6)9/h6H,4-5H2,1-3H3
InChIKey
VICZDPLZWGPCTN-UHFFFAOYSA-N
Compound name
4-tert-butyloxolan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

142.09938 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 129.2
[M+Na]+ 165.088598 136.7
[M-H]- 141.092104 133.5
[M+NH4]+ 160.133203 151.6
[M+K]+ 181.062538 137.4
[M+H-H2O]+ 125.096640 125.4
[M+HCOO]- 187.097581 150.1
[M+CH3COO]- 201.113231 173.0
[M+Na-2H]- 163.074046 135.0
[M]+ 142.09883142 129.2
[M]- 142.09992858 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

patents stripe