CID 22833509

Hy-113149

Structural Information

Molecular Formula
C10H18N4O6
SMILES
C(C[C@@H](C(=O)O)N)CNNC=N[C@@H](CC(=O)O)C(=O)O
InChI
InChI=1S/C10H18N4O6/c11-6(9(17)18)2-1-3-13-14-5-12-7(10(19)20)4-8(15)16/h5-7,13H,1-4,11H2,(H,12,14)(H,15,16)(H,17,18)(H,19,20)/t6-,7-/m0/s1
InChIKey
WSQWJAOQSDPYTD-BQBZGAKWSA-N
Compound name
(2S)-2-[[2-[(4S)-4-amino-4-carboxybutyl]hydrazinyl]methylideneamino]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.12262 Da
Monoisotopic Mass

-6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.12990 163.3
[M+Na]+ 313.11184 163.9
[M-H]- 289.11534 159.5
[M+NH4]+ 308.15644 174.6
[M+K]+ 329.08578 164.6
[M+H-H2O]+ 273.11988 155.4
[M+HCOO]- 335.12082 183.2
[M+CH3COO]- 349.13647 208.2
[M+Na-2H]- 311.09729 161.3
[M]+ 290.12207 160.2
[M]- 290.12317 160.2
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.