CID 6857870

Bis(2-aminoethyl)fumarate dihydrochloride

Structural Information

Molecular Formula
C8H14N2O4
SMILES
C(COC(=O)/C=C\C(=O)OCCN)N
InChI
InChI=1S/C8H14N2O4/c9-3-5-13-7(11)1-2-8(12)14-6-4-10/h1-2H,3-6,9-10H2/b2-1-
InChIKey
LSAKCJLZJXGUKM-UPHRSURJSA-N
Compound name
bis(2-aminoethyl) (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.09535 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.10263 145.5
[M+Na]+ 225.08457 151.0
[M+NH4]+ 220.12917 149.7
[M+K]+ 241.05851 148.4
[M-H]- 201.08807 142.7
[M+Na-2H]- 223.07002 145.5
[M]+ 202.09480 144.7
[M]- 202.09590 144.7
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.