CID 18320455

Dl-ornithino-l-alanine

Structural Information

Molecular Formula
C8H17N3O4
SMILES
C(CC(C(=O)O)N)CNCC(C(=O)O)N
InChI
InChI=1S/C8H17N3O4/c9-5(7(12)13)2-1-3-11-4-6(10)8(14)15/h5-6,11H,1-4,9-10H2,(H,12,13)(H,14,15)
InChIKey
BKYZUPUACXSQQT-UHFFFAOYSA-N
Compound name
2-amino-5-[(2-amino-2-carboxyethyl)amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.1219 Da
Monoisotopic Mass

-6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.129176 150.4
[M+Na]+ 242.111118 152.7
[M-H]- 218.114624 146.4
[M+NH4]+ 237.155723 165.2
[M+K]+ 258.085058 152.5
[M+H-H2O]+ 202.119160 143.8
[M+HCOO]- 264.120101 169.5
[M+CH3COO]- 278.135751 192.7
[M+Na-2H]- 240.096566 148.8
[M]+ 219.12135142 145.7
[M]- 219.12244858 145.7
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

No patent data available for this compound.