CID 258844

Elaiomycin

Structural Information

Molecular Formula
C13H26N2O3
SMILES
CCCCCCC=C[N+](=NC(COC)C(C)O)[O-]
InChI
InChI=1S/C13H26N2O3/c1-4-5-6-7-8-9-10-15(17)14-13(11-18-3)12(2)16/h9-10,12-13,16H,4-8,11H2,1-3H3
InChIKey
BCPWSYQGYBTINM-UHFFFAOYSA-N
Compound name
(3-hydroxy-1-methoxybutan-2-yl)imino-oct-1-enyl-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

8
Patents

258.19434 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.20162 164.0
[M+Na]+ 281.18356 171.4
[M+NH4]+ 276.22816 169.4
[M+K]+ 297.15750 168.7
[M-H]- 257.18706 163.7
[M+Na-2H]- 279.16901 164.4
[M]+ 258.19379 164.4
[M]- 258.19489 164.4
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.