CID 644260

Sphinganine 1-phosphate

Structural Information

Molecular Formula
C18H40NO5P
SMILES
CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)(O)O)N)O
InChI
InChI=1S/C18H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h17-18,20H,2-16,19H2,1H3,(H2,21,22,23)/t17-,18+/m0/s1
InChIKey
YHEDRJPUIRMZMP-ZWKOTPCHSA-N
Compound name
[(2S,3R)-2-amino-3-hydroxyoctadecyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

114
References

914
Patents

381.2644 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.27168 204.7
[M+Na]+ 404.25362 204.0
[M-H]- 380.25712 190.5
[M+NH4]+ 399.29822 193.6
[M+K]+ 420.22756 201.1
[M+H-H2O]+ 364.26166 195.5
[M+HCOO]- 426.26260 203.1
[M+CH3COO]- 440.27825 218.3
[M+Na-2H]- 402.23907 198.3
[M]+ 381.26385 191.2
[M]- 381.26495 191.2
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