CID 84256

Butanediyl bis(3-aminobut-2-enoate)

Structural Information

Molecular Formula
C12H20N2O4
SMILES
CC(=CC(=O)OCCCCOC(=O)C=C(C)N)N
InChI
InChI=1S/C12H20N2O4/c1-9(13)7-11(15)17-5-3-4-6-18-12(16)8-10(2)14/h7-8H,3-6,13-14H2,1-2H3
InChIKey
DFUXQARZEWMFLQ-UHFFFAOYSA-N
Compound name
4-(3-aminobut-2-enoyloxy)butyl 3-aminobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

173
Patents

256.1423 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.14958 162.4
[M+Na]+ 279.13152 166.5
[M+NH4]+ 274.17612 165.4
[M+K]+ 295.10546 164.4
[M-H]- 255.13502 158.8
[M+Na-2H]- 277.11697 160.5
[M]+ 256.14175 161.0
[M]- 256.14285 161.0
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.