CID 154002460

76477-39-9

Structural Information

Molecular Formula
C11H20N2O5
SMILES
C(CCN)C[C@@H](C(=O)O)NC(=O)CCCC(=O)O
InChI
InChI=1S/C11H20N2O5/c12-7-2-1-4-8(11(17)18)13-9(14)5-3-6-10(15)16/h8H,1-7,12H2,(H,13,14)(H,15,16)(H,17,18)/t8-/m0/s1
InChIKey
ALFYDLRXVDLIHC-QMMMGPOBSA-N
Compound name
(2S)-6-amino-2-(4-carboxybutanoylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

260.1372 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14448 161.7
[M+Na]+ 283.12642 163.8
[M-H]- 259.12992 157.7
[M+NH4]+ 278.17102 175.4
[M+K]+ 299.10036 163.0
[M+H-H2O]+ 243.13446 155.1
[M+HCOO]- 305.13540 179.9
[M+CH3COO]- 319.15105 197.3
[M+Na-2H]- 281.11187 159.5
[M]+ 260.13665 160.6
[M]- 260.13775 160.6
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