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
4
Annotation Hits

39
References

232
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 182.9
[M+Na]+ 308.29238 183.3
[M-H]- 284.29588 179.0
[M+NH4]+ 303.33698 197.5
[M+K]+ 324.26632 180.0
[M+H-H2O]+ 268.30042 176.0
[M+HCOO]- 330.30136 199.8
[M+CH3COO]- 344.31701 208.5
[M+Na-2H]- 306.27783 179.5
[M]+ 285.30261 185.0
[M]- 285.30371 185.0
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.