CID 439500

Glu-glu

Structural Information

Molecular Formula
C10H16N2O7
SMILES
C(CC(=O)O)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N
InChI
InChI=1S/C10H16N2O7/c11-5(1-3-7(13)14)9(17)12-6(10(18)19)2-4-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
InChIKey
KOSRFJWDECSPRO-WDSKDSINSA-N
Compound name
(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

34
References

15210
Patents

276.09576 Da
Monoisotopic Mass

-5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10304 161.1
[M+Na]+ 299.08498 162.0
[M+NH4]+ 294.12958 161.4
[M+K]+ 315.05892 164.6
[M-H]- 275.08848 154.0
[M+Na-2H]- 297.07043 156.4
[M]+ 276.09521 157.8
[M]- 276.09631 157.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe