CID 13943471

83793-20-8

Structural Information

Molecular Formula
C11H20N2O5
SMILES
CC(C)(C)OC(=O)N[C@@H](CCCC(=O)N)C(=O)O
InChI
InChI=1S/C11H20N2O5/c1-11(2,3)18-10(17)13-7(9(15)16)5-4-6-8(12)14/h7H,4-6H2,1-3H3,(H2,12,14)(H,13,17)(H,15,16)/t7-/m0/s1
InChIKey
DVKKBFOQISYLEY-ZETCQYMHSA-N
Compound name
(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1372 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.144476 160.5
[M+Na]+ 283.126418 163.7
[M-H]- 259.129924 158.4
[M+NH4]+ 278.171023 175.3
[M+K]+ 299.100358 164.3
[M+H-H2O]+ 243.134460 154.7
[M+HCOO]- 305.135401 178.8
[M+CH3COO]- 319.151051 198.6
[M+Na-2H]- 281.111866 160.0
[M]+ 260.13665142 160.8
[M]- 260.13774858 160.8
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.