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]+ 272.258406 175.2
[M+Na]+ 294.240348 176.7
[M-H]- 270.243854 171.6
[M+NH4]+ 289.284953 190.2
[M+K]+ 310.214288 173.8
[M+H-H2O]+ 254.248390 168.5
[M+HCOO]- 316.249331 193.2
[M+CH3COO]- 330.264981 203.6
[M+Na-2H]- 292.225796 172.9
[M]+ 271.25058142 177.3
[M]- 271.25167858 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