CID 10808283

746594-44-5

Structural Information

Molecular Formula
C20H35NO2
SMILES
CCCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N
InChI
InChI=1S/C20H35NO2/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)14-15-20(21,16-22)17-23/h10-13,22-23H,2-9,14-17,21H2,1H3
InChIKey
ZHIYCKDBZCXAQL-UHFFFAOYSA-N
Compound name
2-amino-2-[2-(4-nonylphenyl)ethyl]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

53
Patents

321.26678 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.27406 184.7
[M+Na]+ 344.25600 192.8
[M+NH4]+ 339.30060 190.2
[M+K]+ 360.22994 185.8
[M-H]- 320.25950 185.0
[M+Na-2H]- 342.24145 187.3
[M]+ 321.26623 185.7
[M]- 321.26733 185.7
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