CID 15431939

219617-09-1

Structural Information

Molecular Formula
C15H25NO7
SMILES
CC(C)(C)OC(=O)N([C@@H](CC=O)C(=O)OC)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H25NO7/c1-14(2,3)22-12(19)16(13(20)23-15(4,5)6)10(8-9-17)11(18)21-7/h9-10H,8H2,1-7H3/t10-/m0/s1
InChIKey
QFEVCOWXQPPBLI-JTQLQIEISA-N
Compound name
methyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

331.16312 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.17040 173.1
[M+Na]+ 354.15234 176.8
[M+NH4]+ 349.19694 190.2
[M+K]+ 370.12628 182.1
[M-H]- 330.15584 183.1
[M+Na-2H]- 352.13779 171.2
[M]+ 331.16257 171.2
[M]- 331.16367 171.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe