CID 131750731

Alanyl-gamma-glutamate

Structural Information

Molecular Formula
C8H15N3O4
SMILES
CC(C(=O)NC(=O)CCC(C(=O)O)N)N
InChI
InChI=1S/C8H15N3O4/c1-4(9)7(13)11-6(12)3-2-5(10)8(14)15/h4-5H,2-3,9-10H2,1H3,(H,14,15)(H,11,12,13)
InChIKey
XEMDRWVKLPUYDR-UHFFFAOYSA-N
Compound name
2-amino-5-(2-aminopropanoylamino)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.10626 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11354 150.0
[M+Na]+ 240.09548 152.6
[M+NH4]+ 235.14008 152.9
[M+K]+ 256.06942 153.1
[M-H]- 216.09898 146.2
[M+Na-2H]- 238.08093 147.9
[M]+ 217.10571 148.2
[M]- 217.10681 148.2
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.