CID 131750734

Asparaginyl-gamma-glutamate

Structural Information

Molecular Formula
C9H16N4O5
SMILES
C(CC(=O)NC(=O)C(CC(=O)N)N)C(C(=O)O)N
InChI
InChI=1S/C9H16N4O5/c10-4(9(17)18)1-2-7(15)13-8(16)5(11)3-6(12)14/h4-5H,1-3,10-11H2,(H2,12,14)(H,17,18)(H,13,15,16)
InChIKey
CXTYHSFBRYPJED-UHFFFAOYSA-N
Compound name
2-amino-5-[(2,4-diamino-4-oxobutanoyl)amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.11206 Da
Monoisotopic Mass

-6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11934 159.0
[M+Na]+ 283.10128 160.6
[M-H]- 259.10478 155.9
[M+NH4]+ 278.14588 171.9
[M+K]+ 299.07522 161.6
[M+H-H2O]+ 243.10932 151.6
[M+HCOO]- 305.11026 178.3
[M+CH3COO]- 319.12591 204.5
[M+Na-2H]- 281.08673 154.3
[M]+ 260.11151 153.3
[M]- 260.11261 153.3
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.