CID 138911170

N-(4-carboxy-4-oxobutanoyl)-l-ethylglycylglycine

Structural Information

Molecular Formula
C11H16N2O7
SMILES
CC[C@@H](C(=O)NCC(=O)O)NC(=O)CCC(=O)C(=O)O
InChI
InChI=1S/C11H16N2O7/c1-2-6(10(18)12-5-9(16)17)13-8(15)4-3-7(14)11(19)20/h6H,2-5H2,1H3,(H,12,18)(H,13,15)(H,16,17)(H,19,20)/t6-/m0/s1
InChIKey
RRBLCHIJUKCUNR-LURJTMIESA-N
Compound name
5-[[(2S)-1-(carboxymethylamino)-1-oxobutan-2-yl]amino]-2,5-dioxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.09576 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10304 163.9
[M+Na]+ 311.08498 165.5
[M+NH4]+ 306.12958 185.9
[M+K]+ 327.05892 167.3
[M-H]- 287.08848 157.3
[M+Na-2H]- 309.07043 160.0
[M]+ 288.09521 161.0
[M]- 288.09631 161.0
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

No patent data available for this compound.