CID 7018732

(2r)-4-(tert-butoxy)-2-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid

Structural Information

Molecular Formula
C13H23NO6
SMILES
CC(C)(C)OC(=O)C[C@H](C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H23NO6/c1-12(2,3)19-9(15)7-8(10(16)17)14-11(18)20-13(4,5)6/h8H,7H2,1-6H3,(H,14,18)(H,16,17)/t8-/m1/s1
InChIKey
PHJDCONJXLIIPW-MRVPVSSYSA-N
Compound name
(2R)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

289.15253 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.15981 165.2
[M+Na]+ 312.14175 169.0
[M-H]- 288.14525 163.8
[M+NH4]+ 307.18635 179.9
[M+K]+ 328.11569 170.6
[M+H-H2O]+ 272.14979 160.5
[M+HCOO]- 334.15073 181.4
[M+CH3COO]- 348.16638 201.0
[M+Na-2H]- 310.12720 166.2
[M]+ 289.15198 169.1
[M]- 289.15308 169.1
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

patents stripe