CID 70679049

3-dehydrohexadecasphinganine(1+)

Structural Information

Molecular Formula
C16H33NO2
SMILES
CCCCCCCCCCCCCC(=O)[C@H](CO)N
InChI
InChI=1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)15(17)14-18/h15,18H,2-14,17H2,1H3/t15-/m0/s1
InChIKey
RYNAFXPWYRVRJV-HNNXBMFYSA-N
Compound name
(2S)-2-amino-1-hydroxyhexadecan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

271.25113 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.25841 172.5
[M+Na]+ 294.24035 178.3
[M+NH4]+ 289.28495 177.5
[M+K]+ 310.21429 172.5
[M-H]- 270.24385 170.5
[M+Na-2H]- 292.22580 171.8
[M]+ 271.25058 172.2
[M]- 271.25168 172.2
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