CID 42608347

(4e,6e,d14:2) sphingosine

Structural Information

Molecular Formula
C14H27NO2
SMILES
CCCCCCC/C=C/C=C/[C@H]([C@H](CO)N)O
InChI
InChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)13(15)12-16/h8-11,13-14,16-17H,2-7,12,15H2,1H3/b9-8+,11-10+/t13-,14+/m0/s1
InChIKey
UWJZVNRNKDOZCA-LNFMSFKKSA-N
Compound name
(2S,3R,4E,6E)-2-aminotetradeca-4,6-diene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

241.20418 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.21146 165.6
[M+Na]+ 264.19340 168.0
[M-H]- 240.19690 161.1
[M+NH4]+ 259.23800 181.1
[M+K]+ 280.16734 164.1
[M+H-H2O]+ 224.20144 159.6
[M+HCOO]- 286.20238 183.0
[M+CH3COO]- 300.21803 192.9
[M+Na-2H]- 262.17885 163.8
[M]+ 241.20363 164.1
[M]- 241.20473 164.1
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