CID 131750740

Glutaminyl-gamma-glutamate

Structural Information

Molecular Formula
C10H18N4O5
SMILES
C(CC(=O)N)C(C(=O)NC(=O)CCC(C(=O)O)N)N
InChI
InChI=1S/C10H18N4O5/c11-5(1-3-7(13)15)9(17)14-8(16)4-2-6(12)10(18)19/h5-6H,1-4,11-12H2,(H2,13,15)(H,18,19)(H,14,16,17)
InChIKey
YWPMFELGYPTDIO-UHFFFAOYSA-N
Compound name
2-amino-5-[(2,5-diamino-5-oxopentanoyl)amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.12772 Da
Monoisotopic Mass

-5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13500 163.4
[M+Na]+ 297.11694 164.5
[M-H]- 273.12044 160.1
[M+NH4]+ 292.16154 175.7
[M+K]+ 313.09088 165.4
[M+H-H2O]+ 257.12498 155.8
[M+HCOO]- 319.12592 182.4
[M+CH3COO]- 333.14157 207.5
[M+Na-2H]- 295.10239 158.2
[M]+ 274.12717 158.0
[M]- 274.12827 158.0
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