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

11
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 144.7
[M+Na]+ 225.08457 149.8
[M-H]- 201.08807 143.6
[M+NH4]+ 220.12917 162.5
[M+K]+ 241.05851 149.3
[M+H-H2O]+ 185.09261 138.5
[M+HCOO]- 247.09355 168.2
[M+CH3COO]- 261.10920 187.0
[M+Na-2H]- 223.07002 146.5
[M]+ 202.09480 145.1
[M]- 202.09590 145.1
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

patents stripe