CID 165361

H-asp(lys-oh)-oh

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
2
Annotation Hits

0
References

53
Patents

261.13248 Da
Monoisotopic Mass

-6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.139756 160.9
[M+Na]+ 284.121698 162.4
[M-H]- 260.125204 156.7
[M+NH4]+ 279.166303 173.8
[M+K]+ 300.095638 162.4
[M+H-H2O]+ 244.129740 153.9
[M+HCOO]- 306.130681 178.9
[M+CH3COO]- 320.146331 200.5
[M+Na-2H]- 282.107146 157.2
[M]+ 261.13193142 156.9
[M]- 261.13302858 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