CID 12590335

Tetradecasphinganine

Structural Information

Molecular Formula
C14H31NO2
SMILES
CCCCCCCCCCC[C@H]([C@H](CO)N)O
InChI
InChI=1S/C14H31NO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)13(15)12-16/h13-14,16-17H,2-12,15H2,1H3/t13-,14+/m0/s1
InChIKey
JDTJDLPFECSKQJ-UONOGXRCSA-N
Compound name
(2S,3R)-2-aminotetradecane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

245.23547 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.242746 168.0
[M+Na]+ 268.224688 169.6
[M-H]- 244.228194 163.4
[M+NH4]+ 263.269293 183.4
[M+K]+ 284.198628 167.0
[M+H-H2O]+ 228.232730 161.8
[M+HCOO]- 290.233671 184.9
[M+CH3COO]- 304.249321 195.9
[M+Na-2H]- 266.210136 166.2
[M]+ 245.23492142 168.1
[M]- 245.23601858 168.1
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