CID 171117788

Iso (17-methyl-d18:1) sphingosine

Structural Information

Molecular Formula
C19H39NO2
SMILES
CC(C)CCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O
InChI
InChI=1S/C19H39NO2/c1-17(2)14-12-10-8-6-4-3-5-7-9-11-13-15-19(22)18(20)16-21/h13,15,17-19,21-22H,3-12,14,16,20H2,1-2H3/b15-13+/t18-,19+/m0/s1
InChIKey
NXQBFDPHFAJEQX-ZTIKBKQBSA-N
Compound name
(E,2S,3R)-2-amino-17-methyloctadec-4-ene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.29807 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.30535 189.7
[M+Na]+ 336.28729 189.4
[M-H]- 312.29079 184.3
[M+NH4]+ 331.33189 202.3
[M+K]+ 352.26123 185.5
[M+H-H2O]+ 296.29533 182.8
[M+HCOO]- 358.29627 204.2
[M+CH3COO]- 372.31192 210.2
[M+Na-2H]- 334.27274 184.1
[M]+ 313.29752 190.3
[M]- 313.29862 190.3
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.