CID 165361

Aspartylysine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
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 160.9
[M+Na]+ 284.12170 162.4
[M-H]- 260.12520 156.7
[M+NH4]+ 279.16630 173.8
[M+K]+ 300.09564 162.4
[M+H-H2O]+ 244.12974 153.9
[M+HCOO]- 306.13068 178.9
[M+CH3COO]- 320.14633 200.5
[M+Na-2H]- 282.10715 157.2
[M]+ 261.13193 156.9
[M]- 261.13303 156.9
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