CID 70678615

C20 3-dehydrosphinganine(1+)

Structural Information

Molecular Formula
C20H41NO2
SMILES
CCCCCCCCCCCCCCCCCC(=O)[C@H](CO)N
InChI
InChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(21)18-22/h19,22H,2-18,21H2,1H3/t19-/m0/s1
InChIKey
FVOLNXKBISLPQY-IBGZPJMESA-N
Compound name
(2S)-2-amino-1-hydroxyicosan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.31372 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.320996 192.8
[M+Na]+ 350.302938 192.6
[M-H]- 326.306444 188.5
[M+NH4]+ 345.347543 205.5
[M+K]+ 366.276878 188.8
[M+H-H2O]+ 310.310980 185.4
[M+HCOO]- 372.311921 209.5
[M+CH3COO]- 386.327571 215.5
[M+Na-2H]- 348.288386 188.5
[M]+ 327.31317142 196.5
[M]- 327.31426858 196.5
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

No patent data available for this compound.