CID 20054902

Elaiomycin

Structural Information

Molecular Formula
C13H26N2O3
SMILES
CCCCCC/C=C\[N+](=N[C@@H](COC)[C@H](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/b10-9-,15-14?/t12-,13-/m0/s1
InChIKey
BCPWSYQGYBTINM-ZABQTCLWSA-N
Compound name
[(2S,3S)-3-hydroxy-1-methoxybutan-2-yl]imino-[(Z)-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 167.3
[M+Na]+ 281.18356 169.9
[M-H]- 257.18706 166.4
[M+NH4]+ 276.22816 183.1
[M+K]+ 297.15750 164.7
[M+H-H2O]+ 241.19160 165.4
[M+HCOO]- 303.19254 189.5
[M+CH3COO]- 317.20819 195.4
[M+Na-2H]- 279.16901 169.1
[M]+ 258.19379 168.4
[M]- 258.19489 168.4
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

patents stripe