CID 131751895

N5-(3,4-dioxo-1,5-cyclohexadien-1-yl)-l-glutamine

Structural Information

Molecular Formula
C11H12N2O5
SMILES
C1=CC(=O)C(=O)C=C1NC(=O)CCC(C(=O)O)N
InChI
InChI=1S/C11H12N2O5/c12-7(11(17)18)2-4-10(16)13-6-1-3-8(14)9(15)5-6/h1,3,5,7H,2,4,12H2,(H,13,16)(H,17,18)
InChIKey
PIJUAYKLMIQQRF-UHFFFAOYSA-N
Compound name
2-amino-5-[(3,4-dioxocyclohexa-1,5-dien-1-yl)amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

252.07462 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.081896 153.0
[M+Na]+ 275.063838 158.2
[M-H]- 251.067344 154.7
[M+NH4]+ 270.108443 168.0
[M+K]+ 291.037778 156.8
[M+H-H2O]+ 235.071880 146.4
[M+HCOO]- 297.072821 174.2
[M+CH3COO]- 311.088471 196.5
[M+Na-2H]- 273.049286 153.3
[M]+ 252.07407142 150.9
[M]- 252.07516858 150.9
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.