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

101
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.