CID 5283557

C17 sphingosine

Structural Information

Molecular Formula
C17H35NO2
SMILES
CCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O
InChI
InChI=1S/C17H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)16(18)15-19/h13-14,16-17,19-20H,2-12,15,18H2,1H3/b14-13+/t16-,17+/m0/s1
InChIKey
RBEJCQPPFCKTRZ-LHMZYYNSSA-N
Compound name
(E,2S,3R)-2-aminoheptadec-4-ene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

161
Patents

285.26678 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.27406 180.0
[M+Na]+ 308.25600 180.8
[M-H]- 284.25950 174.9
[M+NH4]+ 303.30060 193.8
[M+K]+ 324.22994 176.8
[M+H-H2O]+ 268.26404 173.4
[M+HCOO]- 330.26498 196.2
[M+CH3COO]- 344.28063 203.4
[M+Na-2H]- 306.24145 176.7
[M]+ 285.26623 180.5
[M]- 285.26733 180.5
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