CID 18218203

Glutaminylaspartic acid

Structural Information

Molecular Formula
C9H15N3O6
SMILES
C(CC(=O)N)C(C(=O)NC(CC(=O)O)C(=O)O)N
InChI
InChI=1S/C9H15N3O6/c10-4(1-2-6(11)13)8(16)12-5(9(17)18)3-7(14)15/h4-5H,1-3,10H2,(H2,11,13)(H,12,16)(H,14,15)(H,17,18)
InChIKey
SSHIXEILTLPAQT-UHFFFAOYSA-N
Compound name
2-[(2,5-diamino-5-oxopentanoyl)amino]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2144
Patents

261.0961 Da
Monoisotopic Mass

-5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10338 158.0
[M+Na]+ 284.08532 158.5
[M+NH4]+ 279.12992 158.7
[M+K]+ 300.05926 161.1
[M-H]- 260.08882 152.1
[M+Na-2H]- 282.07077 153.8
[M]+ 261.09555 155.0
[M]- 261.09665 155.0
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

patents stripe