CID 70679049

3-dehydrohexadecasphinganine(1+)

Structural Information

Molecular Formula
C16H33NO2
SMILES
CCCCCCCCCCCCCC(=O)[C@H](CO)N
InChI
InChI=1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)15(17)14-18/h15,18H,2-14,17H2,1H3/t15-/m0/s1
InChIKey
RYNAFXPWYRVRJV-HNNXBMFYSA-N
Compound name
(2S)-2-amino-1-hydroxyhexadecan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

271.25113 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.25841 175.2
[M+Na]+ 294.24035 176.7
[M-H]- 270.24385 171.6
[M+NH4]+ 289.28495 190.2
[M+K]+ 310.21429 173.8
[M+H-H2O]+ 254.24839 168.5
[M+HCOO]- 316.24933 193.2
[M+CH3COO]- 330.26498 203.6
[M+Na-2H]- 292.22580 172.9
[M]+ 271.25058 177.3
[M]- 271.25168 177.3
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