CID 132276621

Gaba-l-ornithine

Structural Information

Molecular Formula
C9H19N3O3
SMILES
C(C[C@@H](C(=O)O)NC(=O)CCCN)CN
InChI
InChI=1S/C9H19N3O3/c10-5-1-3-7(9(14)15)12-8(13)4-2-6-11/h7H,1-6,10-11H2,(H,12,13)(H,14,15)/t7-/m0/s1
InChIKey
PQOISWFOHLXORE-ZETCQYMHSA-N
Compound name
(2S)-5-amino-2-(4-aminobutanoylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.14264 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.14992 152.0
[M+Na]+ 240.13186 154.7
[M-H]- 216.13536 149.3
[M+NH4]+ 235.17646 167.9
[M+K]+ 256.10580 153.9
[M+H-H2O]+ 200.13990 145.3
[M+HCOO]- 262.14084 173.1
[M+CH3COO]- 276.15649 194.0
[M+Na-2H]- 238.11731 151.6
[M]+ 217.14209 148.7
[M]- 217.14319 148.7
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

No patent data available for this compound.