CID 9925886

Spisulosine

Structural Information

Molecular Formula
C18H39NO
SMILES
CCCCCCCCCCCCCCC[C@H]([C@H](C)N)O
InChI
InChI=1S/C18H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h17-18,20H,3-16,19H2,1-2H3/t17-,18+/m0/s1
InChIKey
YRYJJIXWWQLGGV-ZWKOTPCHSA-N
Compound name
(2S,3R)-2-aminooctadecan-3-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

39
References

247
Patents

285.30316 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.31044 179.3
[M+Na]+ 308.29238 185.1
[M+NH4]+ 303.33698 184.8
[M+K]+ 324.26632 178.4
[M-H]- 284.29588 178.0
[M+Na-2H]- 306.27783 178.7
[M]+ 285.30261 179.3
[M]- 285.30371 179.3
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