CID 42608350

(9me,4e,8e,10e-d19:3)sphingosine

Structural Information

Molecular Formula
C19H35NO2
SMILES
CCCCCCC/C=C/C(=C/CC/C=C/[C@H]([C@H](CO)N)O)/C
InChI
InChI=1S/C19H35NO2/c1-3-4-5-6-7-8-10-13-17(2)14-11-9-12-15-19(22)18(20)16-21/h10,12-15,18-19,21-22H,3-9,11,16,20H2,1-2H3/b13-10+,15-12+,17-14+/t18-,19+/m0/s1
InChIKey
YWSMQDAGCQEIIC-SNNCSWOYSA-N
Compound name
(2S,3R,4E,8E,10E)-2-amino-9-methyloctadeca-4,8,10-triene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

309.26678 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.27406 187.1
[M+Na]+ 332.25600 187.6
[M-H]- 308.25950 181.9
[M+NH4]+ 327.30060 199.9
[M+K]+ 348.22994 182.4
[M+H-H2O]+ 292.26404 180.5
[M+HCOO]- 354.26498 202.1
[M+CH3COO]- 368.28063 207.3
[M+Na-2H]- 330.24145 181.5
[M]+ 309.26623 186.1
[M]- 309.26733 186.1
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