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

160
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 163.1
[M+Na]+ 279.13152 166.5
[M-H]- 255.13502 161.5
[M+NH4]+ 274.17612 178.6
[M+K]+ 295.10546 165.6
[M+H-H2O]+ 239.13956 156.5
[M+HCOO]- 301.14050 183.5
[M+CH3COO]- 315.15615 199.4
[M+Na-2H]- 277.11697 160.3
[M]+ 256.14175 162.9
[M]- 256.14285 162.9
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

patents stripe