CID 792942

(2r)-5-tert-butyl-2-(3,3-dimethyl-2-oxobutyl)-2-hydroxyfuran-3(2h)-one

Structural Information

Molecular Formula
C14H22O4
SMILES
CC(C)(C)C1=CC(=O)[C@](O1)(CC(=O)C(C)(C)C)O
InChI
InChI=1S/C14H22O4/c1-12(2,3)10(16)8-14(17)9(15)7-11(18-14)13(4,5)6/h7,17H,8H2,1-6H3/t14-/m1/s1
InChIKey
UYWMRJLUPWHIOJ-CQSZACIVSA-N
Compound name
(2R)-5-tert-butyl-2-(3,3-dimethyl-2-oxobutyl)-2-hydroxyfuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.15181 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.15909 155.4
[M+Na]+ 277.14103 163.1
[M-H]- 253.14453 158.8
[M+NH4]+ 272.18563 175.0
[M+K]+ 293.11497 163.1
[M+H-H2O]+ 237.14907 153.0
[M+HCOO]- 299.15001 172.5
[M+CH3COO]- 313.16566 192.9
[M+Na-2H]- 275.12648 160.1
[M]+ 254.15126 159.1
[M]- 254.15236 159.1
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.