CID 11174511

Dehydrophytosphingosine (not validated, isomer of 1677)

Structural Information

Molecular Formula
C18H37NO3
SMILES
CCCCCCCCC/C=C\CCC[C@H]([C@H]([C@H](CO)N)O)O
InChI
InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/b11-10-/t16-,17+,18-/m0/s1
InChIKey
CQKNELOTFUSOTP-OGAXSGQXSA-N
Compound name
(Z,2S,3S,4R)-2-aminooctadec-8-ene-1,3,4-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

371
Patents

315.27734 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.28462 184.9
[M+Na]+ 338.26656 188.3
[M+NH4]+ 333.31116 188.1
[M+K]+ 354.24050 184.0
[M-H]- 314.27006 180.9
[M+Na-2H]- 336.25201 181.6
[M]+ 315.27679 183.5
[M]- 315.27789 183.5
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

patents stripe