CID 155858283

2567489-05-6

Structural Information

Molecular Formula
C15H27NO6
SMILES
C[C@@](CCC(=O)O)(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C15H27NO6/c1-13(2,3)21-11(19)15(7,9-8-10(17)18)16-12(20)22-14(4,5)6/h8-9H2,1-7H3,(H,16,20)(H,17,18)/t15-/m1/s1
InChIKey
DQLGSVCOTBMWGR-OAHLLOKOSA-N
Compound name
(4R)-4-methyl-5-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.18384 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.19112 172.5
[M+Na]+ 340.17306 176.1
[M-H]- 316.17656 171.0
[M+NH4]+ 335.21766 182.6
[M+K]+ 356.14700 177.3
[M+H-H2O]+ 300.18110 168.2
[M+HCOO]- 362.18204 187.5
[M+CH3COO]- 376.19769 206.5
[M+Na-2H]- 338.15851 175.2
[M]+ 317.18329 177.3
[M]- 317.18439 177.3
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.