CID 70679000

15-methylhexadeca sphinganine

Structural Information

Molecular Formula
C17H37NO2
SMILES
CC(C)CCCCCCCCCCC[C@H]([C@H](CO)N)O
InChI
InChI=1S/C17H37NO2/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-17(20)16(18)14-19/h15-17,19-20H,3-14,18H2,1-2H3/t16-,17+/m0/s1
InChIKey
VFYHIOGWELBGIK-DLBZAZTESA-N
Compound name
(2S,3R)-2-amino-15-methylhexadecane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

287.28244 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.28972 182.2
[M+Na]+ 310.27166 182.3
[M-H]- 286.27516 177.1
[M+NH4]+ 305.31626 195.8
[M+K]+ 326.24560 179.5
[M+H-H2O]+ 270.27970 175.5
[M+HCOO]- 332.28064 197.1
[M+CH3COO]- 346.29629 205.8
[M+Na-2H]- 308.25711 177.5
[M]+ 287.28189 182.8
[M]- 287.28299 182.8
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.