CID 168007679

Chebi:195186

Structural Information

Molecular Formula
C11H21N3O6
SMILES
C(CCNN[C@@H](CCC(=O)O)C(=O)O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C11H21N3O6/c12-7(10(17)18)3-1-2-6-13-14-8(11(19)20)4-5-9(15)16/h7-8,13-14H,1-6,12H2,(H,15,16)(H,17,18)(H,19,20)/t7-,8-/m0/s1
InChIKey
JQGDXPPINNEUET-YUMQZZPRSA-N
Compound name
(2S)-2-[2-[(5S)-5-amino-5-carboxypentyl]hydrazinyl]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.14304 Da
Monoisotopic Mass

-8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.15032 166.4
[M+Na]+ 314.13226 166.7
[M-H]- 290.13576 161.0
[M+NH4]+ 309.17686 177.5
[M+K]+ 330.10620 166.7
[M+H-H2O]+ 274.14030 159.1
[M+HCOO]- 336.14124 183.3
[M+CH3COO]- 350.15689 204.8
[M+Na-2H]- 312.11771 163.0
[M]+ 291.14249 163.4
[M]- 291.14359 163.4
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.