CID 656816

Hexadecasphinganine(1+)

Structural Information

Molecular Formula
C16H35NO2
SMILES
CCCCCCCCCCCCC[C@H]([C@H](CO)N)O
InChI
InChI=1S/C16H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)15(17)14-18/h15-16,18-19H,2-14,17H2,1H3/t15-,16+/m0/s1
InChIKey
ZKLREJQHRKUJHD-JKSUJKDBSA-N
Compound name
(2S,3R)-2-aminohexadecane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

30
Patents

273.26678 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.27406 173.6
[M+Na]+ 296.25600 178.8
[M+NH4]+ 291.30060 178.5
[M+K]+ 312.22994 173.4
[M-H]- 272.25950 171.3
[M+Na-2H]- 294.24145 172.4
[M]+ 273.26623 173.1
[M]- 273.26733 173.1
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