CID 14767871

Hexadecasphingosine

Structural Information

Molecular Formula
C16H33NO2
SMILES
CCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O
InChI
InChI=1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)15(17)14-18/h12-13,15-16,18-19H,2-11,14,17H2,1H3/b13-12+/t15-,16+/m0/s1
InChIKey
BTUSGZZCQZACPT-YYZTVXDQSA-N
Compound name
(E,2S,3R)-2-aminohexadec-4-ene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

271.25113 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.258406 175.7
[M+Na]+ 294.240348 176.8
[M-H]- 270.243854 170.7
[M+NH4]+ 289.284953 190.0
[M+K]+ 310.214288 173.1
[M+H-H2O]+ 254.248390 169.2
[M+HCOO]- 316.249331 192.1
[M+CH3COO]- 330.264981 200.4
[M+Na-2H]- 292.225796 172.8
[M]+ 271.25058142 175.7
[M]- 271.25167858 175.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe