CID 171117791

Iso (13-methyl-d14:0) sphinganine

Structural Information

Molecular Formula
C15H33NO2
SMILES
CC(C)CCCCCCCCC[C@H]([C@H](CO)N)O
InChI
InChI=1S/C15H33NO2/c1-13(2)10-8-6-4-3-5-7-9-11-15(18)14(16)12-17/h13-15,17-18H,3-12,16H2,1-2H3/t14-,15+/m0/s1
InChIKey
WHCSHOZZRZZFDF-LSDHHAIUSA-N
Compound name
(2S,3R)-2-amino-13-methyltetradecane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.25113 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.25841 173.3
[M+Na]+ 282.24035 174.3
[M-H]- 258.24385 168.6
[M+NH4]+ 277.28495 188.1
[M+K]+ 298.21429 171.9
[M+H-H2O]+ 242.24839 167.0
[M+HCOO]- 304.24933 188.9
[M+CH3COO]- 318.26498 199.8
[M+Na-2H]- 280.22580 169.6
[M]+ 259.25058 173.1
[M]- 259.25168 173.1
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.