CID 656816

Hexadecasphinganine

Structural Information

Molecular Formula
C16H35NO2
SMILES
CCCCCCCCCCCCC[C@H]([C@H](CO)N)O
InChI
InChI=1S/C16H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)15(17)14-18/h15-16,18-19H,2-14,17H2,1H3/t15-,16+/m0/s1
InChIKey
ZKLREJQHRKUJHD-JKSUJKDBSA-N
Compound name
(2S,3R)-2-aminohexadecane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

67
Patents

273.26678 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.274056 176.9
[M+Na]+ 296.255998 177.6
[M-H]- 272.259504 171.9
[M+NH4]+ 291.300603 191.1
[M+K]+ 312.229938 174.5
[M+H-H2O]+ 256.264040 170.3
[M+HCOO]- 318.264981 193.1
[M+CH3COO]- 332.280631 201.9
[M+Na-2H]- 294.241446 174.0
[M]+ 273.26623142 177.7
[M]- 273.26732858 177.7
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