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]+ 328.32100 192.8
[M+Na]+ 350.30294 192.6
[M-H]- 326.30644 188.5
[M+NH4]+ 345.34754 205.5
[M+K]+ 366.27688 188.8
[M+H-H2O]+ 310.31098 185.4
[M+HCOO]- 372.31192 209.5
[M+CH3COO]- 386.32757 215.5
[M+Na-2H]- 348.28839 188.5
[M]+ 327.31317 196.5
[M]- 327.31427 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.