CID 6857870

4126-70-9

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

14
Patents

202.09535 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.102626 144.7
[M+Na]+ 225.084568 149.8
[M-H]- 201.088074 143.6
[M+NH4]+ 220.129173 162.5
[M+K]+ 241.058508 149.3
[M+H-H2O]+ 185.092610 138.5
[M+HCOO]- 247.093551 168.2
[M+CH3COO]- 261.109201 187.0
[M+Na-2H]- 223.070016 146.5
[M]+ 202.09480142 145.1
[M]- 202.09589858 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