CID 131752643

N5-acetyl-n2-gamma-l-glutamyl-l-ornithine

Structural Information

Molecular Formula
C12H21N3O6
SMILES
CC(=O)NCCCC(C(=O)O)NC(=O)CCC(C(=O)O)N
InChI
InChI=1S/C12H21N3O6/c1-7(16)14-6-2-3-9(12(20)21)15-10(17)5-4-8(13)11(18)19/h8-9H,2-6,13H2,1H3,(H,14,16)(H,15,17)(H,18,19)(H,20,21)
InChIKey
JAAJGIIASALJIT-UHFFFAOYSA-N
Compound name
5-[(4-acetamido-1-carboxybutyl)amino]-2-amino-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.14304 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15032 170.8
[M+Na]+ 326.13226 171.4
[M-H]- 302.13576 166.8
[M+NH4]+ 321.17686 182.2
[M+K]+ 342.10620 172.0
[M+H-H2O]+ 286.14030 163.6
[M+HCOO]- 348.14124 188.2
[M+CH3COO]- 362.15689 208.7
[M+Na-2H]- 324.11771 166.2
[M]+ 303.14249 168.6
[M]- 303.14359 168.6
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.