CID 11219156

Lysyl-asparagine

Structural Information

Molecular Formula
C10H20N4O4
SMILES
C(CCN)C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)O)N
InChI
InChI=1S/C10H20N4O4/c11-4-2-1-3-6(12)9(16)14-7(10(17)18)5-8(13)15/h6-7H,1-5,11-12H2,(H2,13,15)(H,14,16)(H,17,18)/t6-,7-/m0/s1
InChIKey
JPNRPAJITHRXRH-BQBZGAKWSA-N
Compound name
(2S)-4-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5063
Patents

260.14847 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.15575 161.5
[M+Na]+ 283.13769 162.1
[M+NH4]+ 278.18229 163.4
[M+K]+ 299.11163 162.9
[M-H]- 259.14119 157.7
[M+Na-2H]- 281.12314 158.2
[M]+ 260.14792 159.2
[M]- 260.14902 159.2
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