CID 18218211

Schembl5970410

Structural Information

Molecular Formula
C8H15N3O5
SMILES
C(CC(=O)N)C(C(=O)NC(CO)C(=O)O)N
InChI
InChI=1S/C8H15N3O5/c9-4(1-2-6(10)13)7(14)11-5(3-12)8(15)16/h4-5,12H,1-3,9H2,(H2,10,13)(H,11,14)(H,15,16)
InChIKey
UKKNTTCNGZLJEX-UHFFFAOYSA-N
Compound name
2-[(2,5-diamino-5-oxopentanoyl)amino]-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1955
Patents

233.10117 Da
Monoisotopic Mass

-5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.10845 152.4
[M+Na]+ 256.09039 153.9
[M+NH4]+ 251.13499 154.3
[M+K]+ 272.06433 155.4
[M-H]- 232.09389 147.5
[M+Na-2H]- 254.07584 149.2
[M]+ 233.10062 150.0
[M]- 233.10172 150.0
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