CID 206603

Bis(2-amidinoethyl) succinate dihydrochloride

Structural Information

Molecular Formula
C10H18N4O4
SMILES
C(CC(=O)OCCC(=N)N)C(=O)OCCC(=N)N
InChI
InChI=1S/C10H18N4O4/c11-7(12)3-5-17-9(15)1-2-10(16)18-6-4-8(13)14/h1-6H2,(H3,11,12)(H3,13,14)
InChIKey
MWNXXTJQAIRBCQ-UHFFFAOYSA-N
Compound name
bis(3-amino-3-iminopropyl) butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.1328 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14008 159.5
[M+Na]+ 281.12202 161.6
[M-H]- 257.12552 158.1
[M+NH4]+ 276.16662 173.8
[M+K]+ 297.09596 161.6
[M+H-H2O]+ 241.13006 151.8
[M+HCOO]- 303.13100 182.4
[M+CH3COO]- 317.14665 205.6
[M+Na-2H]- 279.10747 158.4
[M]+ 258.13225 156.9
[M]- 258.13335 156.9
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.