CID 10924710

4-hydroxysphinganine (c17 base)

Structural Information

Molecular Formula
C17H37NO3
SMILES
CCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)N)O)O
InChI
InChI=1S/C17H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(20)17(21)15(18)14-19/h15-17,19-21H,2-14,18H2,1H3/t15-,16+,17-/m0/s1
InChIKey
NKOLYWXODIHTSI-BBWFWOEESA-N
Compound name
(2S,3S,4R)-2-aminoheptadecane-1,3,4-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.27734 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.28462 184.7
[M+Na]+ 326.26656 184.3
[M-H]- 302.27006 178.1
[M+NH4]+ 321.31116 196.8
[M+K]+ 342.24050 181.2
[M+H-H2O]+ 286.27460 178.0
[M+HCOO]- 348.27554 198.4
[M+CH3COO]- 362.29119 205.4
[M+Na-2H]- 324.25201 179.6
[M]+ 303.27679 184.8
[M]- 303.27789 184.8
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.