CID 10913955

(4e,8e,9me-d19:2)sphingosine

Structural Information

Molecular Formula
C19H37NO2
SMILES
CCCCCCCCC/C(=C/CC/C=C/[C@H]([C@H](CO)N)O)/C
InChI
InChI=1S/C19H37NO2/c1-3-4-5-6-7-8-10-13-17(2)14-11-9-12-15-19(22)18(20)16-21/h12,14-15,18-19,21-22H,3-11,13,16,20H2,1-2H3/b15-12+,17-14+/t18-,19+/m0/s1
InChIKey
QCUHPIBMMDIRKL-JWBJMZHVSA-N
Compound name
(2S,3R,4E,8E)-2-amino-9-methyloctadeca-4,8-diene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

311.28244 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.28972 188.4
[M+Na]+ 334.27166 188.5
[M-H]- 310.27516 183.1
[M+NH4]+ 329.31626 201.1
[M+K]+ 350.24560 184.0
[M+H-H2O]+ 294.27970 181.7
[M+HCOO]- 356.28064 203.2
[M+CH3COO]- 370.29629 208.8
[M+Na-2H]- 332.25711 182.8
[M]+ 311.28189 188.2
[M]- 311.28299 188.2
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