CID 44146875

Einecs 285-933-3

Structural Information

Molecular Formula
C14H24N2O5
SMILES
CC(/C(=C(\N)/C)/C(=O)O)COCC(/C(=C(\N)/C)/C(=O)O)C
InChI
InChI=1S/C14H24N2O5/c1-7(11(9(3)15)13(17)18)5-21-6-8(2)12(10(4)16)14(19)20/h7-8H,5-6,15-16H2,1-4H3,(H,17,18)(H,19,20)/b11-9+,12-10+
InChIKey
BBMDLBORNYNHAR-WGDLNXRISA-N
Compound name
(E)-3-amino-2-[1-[(E)-4-amino-3-carboxy-2-methylpent-3-enoxy]propan-2-yl]but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.16852 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17580 175.0
[M+Na]+ 323.15774 175.7
[M-H]- 299.16124 170.5
[M+NH4]+ 318.20234 186.7
[M+K]+ 339.13168 175.8
[M+H-H2O]+ 283.16578 168.8
[M+HCOO]- 345.16672 188.0
[M+CH3COO]- 359.18237 208.5
[M+Na-2H]- 321.14319 165.4
[M]+ 300.16797 170.8
[M]- 300.16907 170.8
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.