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]+ 255.159086 155.4
[M+Na]+ 277.141028 163.1
[M-H]- 253.144534 158.8
[M+NH4]+ 272.185633 175.0
[M+K]+ 293.114968 163.1
[M+H-H2O]+ 237.149070 153.0
[M+HCOO]- 299.150011 172.5
[M+CH3COO]- 313.165661 192.9
[M+Na-2H]- 275.126476 160.1
[M]+ 254.15126142 159.1
[M]- 254.15235858 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.