CID 206605

Di-2-guanidinoethyl succinate dihydrochloride

Structural Information

Molecular Formula
C10H20N6O4
SMILES
C(CC(=O)OCCN=C(N)N)C(=O)OCCN=C(N)N
InChI
InChI=1S/C10H20N6O4/c11-9(12)15-3-5-19-7(17)1-2-8(18)20-6-4-16-10(13)14/h1-6H2,(H4,11,12,15)(H4,13,14,16)
InChIKey
MYRXGZYFQHOBQF-UHFFFAOYSA-N
Compound name
bis[2-(diaminomethylideneamino)ethyl] butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1546 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.161876 163.8
[M+Na]+ 311.143818 165.1
[M-H]- 287.147324 164.1
[M+NH4]+ 306.188423 177.0
[M+K]+ 327.117758 166.8
[M+H-H2O]+ 271.151860 154.5
[M+HCOO]- 333.152801 190.3
[M+CH3COO]- 347.168451 219.0
[M+Na-2H]- 309.129266 162.5
[M]+ 288.15405142 161.1
[M]- 288.15514858 161.1
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.