CID 6426943

Kd zwitterion

Structural Information

Molecular Formula
C10H19N3O5
SMILES
C(CCN)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)N
InChI
InChI=1S/C10H19N3O5/c11-4-2-1-3-6(12)9(16)13-7(10(17)18)5-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18)/t6-,7-/m0/s1
InChIKey
CIOWSLJGLSUOME-BQBZGAKWSA-N
Compound name
(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4065
Patents

261.13248 Da
Monoisotopic Mass

-6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.13976 160.8
[M+Na]+ 284.12170 161.9
[M+NH4]+ 279.16630 162.3
[M+K]+ 300.09564 162.9
[M-H]- 260.12520 155.8
[M+Na-2H]- 282.10715 157.2
[M]+ 261.13193 158.3
[M]- 261.13303 158.3
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