CID 9853297

N,n,n-trimethyl-sphingosine

Structural Information

Molecular Formula
C21H44NO2
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)[N+](C)(C)C)O
InChI
InChI=1S/C21H44NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)20(19-23)22(2,3)4/h17-18,20-21,23-24H,5-16,19H2,1-4H3/q+1/b18-17+/t20-,21+/m0/s1
InChIKey
XOKJULOVXVISRP-BWMVHVDHSA-N
Compound name
[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

342.33722 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.34450 194.8
[M+Na]+ 365.32644 194.9
[M-H]- 341.32994 191.6
[M+NH4]+ 360.37104 208.2
[M+K]+ 381.30038 185.9
[M+H-H2O]+ 325.33448 191.2
[M+HCOO]- 387.33542 221.2
[M+CH3COO]- 401.35107 211.8
[M+Na-2H]- 363.31189 194.6
[M]+ 342.33667 197.6
[M]- 342.33777 197.6
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

patents stripe