CID 53422537

Mdayotnxxtvamm-uhfffaoysa-n

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]+ 257.149576 163.4
[M+Na]+ 279.131518 166.6
[M-H]- 255.135024 162.0
[M+NH4]+ 274.176123 178.9
[M+K]+ 295.105458 166.3
[M+H-H2O]+ 239.139560 157.0
[M+HCOO]- 301.140501 182.9
[M+CH3COO]- 315.156151 200.3
[M+Na-2H]- 277.116966 159.4
[M]+ 256.14175142 162.6
[M]- 256.14284858 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.