CID 16657135

2-amino-5-[(4-amino-1-carboxybutyl)amino]-5-oxopentanoic acid

Structural Information

Molecular Formula
C10H19N3O5
SMILES
C(CC(C(=O)O)NC(=O)CCC(C(=O)O)N)CN
InChI
InChI=1S/C10H19N3O5/c11-5-1-2-7(10(17)18)13-8(14)4-3-6(12)9(15)16/h6-7H,1-5,11-12H2,(H,13,14)(H,15,16)(H,17,18)
InChIKey
BBAYFIRFVORJLJ-UHFFFAOYSA-N
Compound name
2-amino-5-[(4-amino-1-carboxybutyl)amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
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

literature stripe

Patent stripe

patents stripe