CID 168475470

N-pyruvoyl-l-glutamate

Structural Information

Molecular Formula
C8H11NO6
SMILES
CC(=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C8H11NO6/c1-4(10)7(13)9-5(8(14)15)2-3-6(11)12/h5H,2-3H2,1H3,(H,9,13)(H,11,12)(H,14,15)/t5-/m0/s1
InChIKey
JHLSCKRPFIRSSX-YFKPBYRVSA-N
Compound name
(2S)-2-(2-oxopropanoylamino)pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.05864 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.06592 144.6
[M+Na]+ 240.04786 149.0
[M-H]- 216.05136 141.9
[M+NH4]+ 235.09246 160.6
[M+K]+ 256.02180 149.6
[M+H-H2O]+ 200.05590 139.3
[M+HCOO]- 262.05684 163.0
[M+CH3COO]- 276.07249 185.9
[M+Na-2H]- 238.03331 143.8
[M]+ 217.05809 144.5
[M]- 217.05919 144.5
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.