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]+ 220.12918 150.4
[M+Na]+ 242.11112 152.7
[M-H]- 218.11462 146.4
[M+NH4]+ 237.15572 165.2
[M+K]+ 258.08506 152.5
[M+H-H2O]+ 202.11916 143.8
[M+HCOO]- 264.12010 169.5
[M+CH3COO]- 278.13575 192.7
[M+Na-2H]- 240.09657 148.8
[M]+ 219.12135 145.7
[M]- 219.12245 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.