CID 52931111

C16 sphinganine-1-phosphate

Structural Information

Molecular Formula
C16H36NO5P
SMILES
CCCCCCCCCCCCC[C@H]([C@H](COP(=O)(O)O)N)O
InChI
InChI=1S/C16H36NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(18)15(17)14-22-23(19,20)21/h15-16,18H,2-14,17H2,1H3,(H2,19,20,21)/t15-,16+/m0/s1
InChIKey
CZIKRZNENJXZEE-JKSUJKDBSA-N
Compound name
[(2S,3R)-2-amino-3-hydroxyhexadecyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

353.23312 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.24040 195.8
[M+Na]+ 376.22234 195.9
[M-H]- 352.22584 188.2
[M+NH4]+ 371.26694 186.3
[M+K]+ 392.19628 193.5
[M+H-H2O]+ 336.23038 186.9
[M+HCOO]- 398.23132 196.6
[M+CH3COO]- 412.24697 212.3
[M+Na-2H]- 374.20779 190.3
[M]+ 353.23257 199.3
[M]- 353.23367 199.3
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

patents stripe