CID 12590335

Tetradecasphinganine(1+)

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

1
References

11
Patents

245.23547 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.24275 168.0
[M+Na]+ 268.22469 169.6
[M-H]- 244.22819 163.4
[M+NH4]+ 263.26929 183.4
[M+K]+ 284.19863 167.0
[M+H-H2O]+ 228.23273 161.8
[M+HCOO]- 290.23367 184.9
[M+CH3COO]- 304.24932 195.9
[M+Na-2H]- 266.21014 166.2
[M]+ 245.23492 168.1
[M]- 245.23602 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