CID 6479303

Abu-fmdp

Structural Information

Molecular Formula
C12H19N3O6
SMILES
CCC(C(=O)NC(CNC(=O)/C=C/C(=O)OC)C(=O)O)N
InChI
InChI=1S/C12H19N3O6/c1-3-7(13)11(18)15-8(12(19)20)6-14-9(16)4-5-10(17)21-2/h4-5,7-8H,3,6,13H2,1-2H3,(H,14,16)(H,15,18)(H,19,20)/b5-4+
InChIKey
GEKCKXZXIRSJKP-SNAWJCMRSA-N
Compound name
2-(2-aminobutanoylamino)-3-[[(E)-4-methoxy-4-oxobut-2-enoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

301.12738 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.13466 169.8
[M+Na]+ 324.11660 171.3
[M-H]- 300.12010 167.3
[M+NH4]+ 319.16120 182.0
[M+K]+ 340.09054 172.0
[M+H-H2O]+ 284.12464 162.5
[M+HCOO]- 346.12558 188.9
[M+CH3COO]- 360.14123 208.7
[M+Na-2H]- 322.10205 165.7
[M]+ 301.12683 168.6
[M]- 301.12793 168.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.