CID 21451266

Asparaginyl-lysine

Structural Information

Molecular Formula
C10H20N4O4
SMILES
C(CCN)CC(C(=O)O)NC(=O)C(CC(=O)N)N
InChI
InChI=1S/C10H20N4O4/c11-4-2-1-3-7(10(17)18)14-9(16)6(12)5-8(13)15/h6-7H,1-5,11-12H2,(H2,13,15)(H,14,16)(H,17,18)
InChIKey
QJMCHPGWFZZRID-UHFFFAOYSA-N
Compound name
6-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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

No literature data available for this compound.

Patent stripe

patents stripe