CID 42608342

C14 sphingosine

Structural Information

Molecular Formula
C14H29NO2
SMILES
CCCCCCCCC/C=C/[C@H]([C@H](CO)N)O
InChI
InChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)13(15)12-16/h10-11,13-14,16-17H,2-9,12,15H2,1H3/b11-10+/t13-,14+/m0/s1
InChIKey
VDRZDTXJMRRVMF-NXFSIWHZSA-N
Compound name
(E,2S,3R)-2-aminotetradec-4-ene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

243.21983 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.22711 166.8
[M+Na]+ 266.20905 168.8
[M-H]- 242.21255 162.3
[M+NH4]+ 261.25365 182.3
[M+K]+ 282.18299 165.6
[M+H-H2O]+ 226.21709 160.7
[M+HCOO]- 288.21803 184.0
[M+CH3COO]- 302.23368 194.4
[M+Na-2H]- 264.19450 165.0
[M]+ 243.21928 166.1
[M]- 243.22038 166.1
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

No patent data available for this compound.