CID 70679000

15-methylhexadeca sphinganine

Structural Information

Molecular Formula
C17H37NO2
SMILES
CC(C)CCCCCCCCCCC[C@H]([C@H](CO)N)O
InChI
InChI=1S/C17H37NO2/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-17(20)16(18)14-19/h15-17,19-20H,3-14,18H2,1-2H3/t16-,17+/m0/s1
InChIKey
VFYHIOGWELBGIK-DLBZAZTESA-N
Compound name
(2S,3R)-2-amino-15-methylhexadecane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

287.28244 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.289716 182.2
[M+Na]+ 310.271658 182.3
[M-H]- 286.275164 177.1
[M+NH4]+ 305.316263 195.8
[M+K]+ 326.245598 179.5
[M+H-H2O]+ 270.279700 175.5
[M+HCOO]- 332.280641 197.1
[M+CH3COO]- 346.296291 205.8
[M+Na-2H]- 308.257106 177.5
[M]+ 287.28189142 182.8
[M]- 287.28298858 182.8
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