CID 25201068

Canavaninosuccinate

Structural Information

Molecular Formula
C9H16N4O7
SMILES
C(CONC(=NC(CC(=O)O)C(=O)O)N)C(C(=O)O)N
InChI
InChI=1S/C9H16N4O7/c10-4(7(16)17)1-2-20-13-9(11)12-5(8(18)19)3-6(14)15/h4-5H,1-3,10H2,(H,14,15)(H,16,17)(H,18,19)(H3,11,12,13)
InChIKey
SGYMGUGIGTWWLU-UHFFFAOYSA-N
Compound name
2-[[amino-[(3-amino-3-carboxypropoxy)amino]methylidene]amino]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3
Patents

292.1019 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.10918 163.4
[M+Na]+ 315.09112 162.3
[M+NH4]+ 310.13572 185.7
[M+K]+ 331.06506 165.9
[M-H]- 291.09462 157.2
[M+Na-2H]- 313.07657 158.6
[M]+ 292.10135 159.9
[M]- 292.10245 159.9
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