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
1
Annotation Hits

8
References

9
Patents

258.19434 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.201616 167.3
[M+Na]+ 281.183558 169.9
[M-H]- 257.187064 166.4
[M+NH4]+ 276.228163 183.1
[M+K]+ 297.157498 164.7
[M+H-H2O]+ 241.191600 165.4
[M+HCOO]- 303.192541 189.5
[M+CH3COO]- 317.208191 195.4
[M+Na-2H]- 279.169006 169.1
[M]+ 258.19379142 168.4
[M]- 258.19488858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.