CID 171120385

Isononadecasphinganine

Structural Information

Molecular Formula
C19H41NO2
SMILES
CC(C)CCCCCCCCCCCCC[C@H]([C@H](CO)N)O
InChI
InChI=1S/C19H41NO2/c1-17(2)14-12-10-8-6-4-3-5-7-9-11-13-15-19(22)18(20)16-21/h17-19,21-22H,3-16,20H2,1-2H3/t18-,19+/m0/s1
InChIKey
LVFJDXPLLXORPU-RBUKOAKNSA-N
Compound name
(2S,3R)-2-amino-17-methyloctadecane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.31372 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.32100 191.0
[M+Na]+ 338.30294 190.3
[M-H]- 314.30644 185.5
[M+NH4]+ 333.34754 203.5
[M+K]+ 354.27688 187.0
[M+H-H2O]+ 298.31098 184.0
[M+HCOO]- 360.31192 205.3
[M+CH3COO]- 374.32757 211.7
[M+Na-2H]- 336.28839 185.3
[M]+ 315.31317 192.3
[M]- 315.31427 192.3
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.