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]+ 292.150316 166.4
[M+Na]+ 314.132258 166.7
[M-H]- 290.135764 161.0
[M+NH4]+ 309.176863 177.5
[M+K]+ 330.106198 166.7
[M+H-H2O]+ 274.140300 159.1
[M+HCOO]- 336.141241 183.3
[M+CH3COO]- 350.156891 204.8
[M+Na-2H]- 312.117706 163.0
[M]+ 291.14249142 163.4
[M]- 291.14358858 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.