CID 656816

Hexadecasphinganine

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
2
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 176.9
[M+Na]+ 296.25600 177.6
[M-H]- 272.25950 171.9
[M+NH4]+ 291.30060 191.1
[M+K]+ 312.22994 174.5
[M+H-H2O]+ 256.26404 170.3
[M+HCOO]- 318.26498 193.1
[M+CH3COO]- 332.28063 201.9
[M+Na-2H]- 294.24145 174.0
[M]+ 273.26623 177.7
[M]- 273.26733 177.7
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