CID 165588247

Tert-butyl (2s)-2-{[(tert-butoxy)carbonyl]amino}-5-hydroxy-4-oxopentanoate

Structural Information

Molecular Formula
C14H25NO6
SMILES
CC(C)(C)OC(=O)[C@H](CC(=O)CO)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H25NO6/c1-13(2,3)20-11(18)10(7-9(17)8-16)15-12(19)21-14(4,5)6/h10,16H,7-8H2,1-6H3,(H,15,19)/t10-/m0/s1
InChIKey
BXINFOQPYKXTGB-JTQLQIEISA-N
Compound name
tert-butyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.16818 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.17546 169.8
[M+Na]+ 326.15740 173.3
[M-H]- 302.16090 168.2
[M+NH4]+ 321.20200 183.0
[M+K]+ 342.13134 174.6
[M+H-H2O]+ 286.16544 165.0
[M+HCOO]- 348.16638 184.9
[M+CH3COO]- 362.18203 204.0
[M+Na-2H]- 324.14285 170.4
[M]+ 303.16763 174.1
[M]- 303.16873 174.1
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.