CID 11252070

5-tert-butyloxolan-2-one

Structural Information

Molecular Formula
C8H14O2
SMILES
CC(C)(C)C1CCC(=O)O1
InChI
InChI=1S/C8H14O2/c1-8(2,3)6-4-5-7(9)10-6/h6H,4-5H2,1-3H3
InChIKey
JOOOWMKNPUTDKK-UHFFFAOYSA-N
Compound name
5-tert-butyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

142.09938 Da
Monoisotopic Mass

2.0
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

literature stripe

Patent stripe

patents stripe