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 162.8
[M+Na]+ 311.08498 165.0
[M-H]- 287.08848 159.6
[M+NH4]+ 306.12958 175.3
[M+K]+ 327.05892 165.8
[M+H-H2O]+ 271.09302 156.3
[M+HCOO]- 333.09396 180.6
[M+CH3COO]- 347.10961 202.1
[M+Na-2H]- 309.07043 159.8
[M]+ 288.09521 163.0
[M]- 288.09631 163.0
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.