CID 53422537

67274-11-7

Structural Information

Molecular Formula
C12H20N2O4
SMILES
CC(CCOC(=O)C=C(C)N)OC(=O)C=C(C)N
InChI
InChI=1S/C12H20N2O4/c1-8(13)6-11(15)17-5-4-10(3)18-12(16)7-9(2)14/h6-7,10H,4-5,13-14H2,1-3H3
InChIKey
MDAYOTNXXTVAMM-UHFFFAOYSA-N
Compound name
3-(3-aminobut-2-enoyloxy)butyl 3-aminobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1423 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.14958 163.4
[M+Na]+ 279.13152 166.6
[M-H]- 255.13502 162.0
[M+NH4]+ 274.17612 178.9
[M+K]+ 295.10546 166.3
[M+H-H2O]+ 239.13956 157.0
[M+HCOO]- 301.14050 182.9
[M+CH3COO]- 315.15615 200.3
[M+Na-2H]- 277.11697 159.4
[M]+ 256.14175 162.6
[M]- 256.14285 162.6
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.