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 159.2
[M+Na]+ 283.10128 159.2
[M+NH4]+ 278.14588 160.2
[M+K]+ 299.07522 161.5
[M-H]- 259.10478 154.4
[M+Na-2H]- 281.08673 155.2
[M]+ 260.11151 156.4
[M]- 260.11261 156.4
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.