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 185.2
[M+Na]+ 344.25600 187.3
[M-H]- 320.25950 183.8
[M+NH4]+ 339.30060 197.7
[M+K]+ 360.22994 182.1
[M+H-H2O]+ 304.26404 178.0
[M+HCOO]- 366.26498 202.2
[M+CH3COO]- 380.28063 209.2
[M+Na-2H]- 342.24145 185.8
[M]+ 321.26623 186.3
[M]- 321.26733 186.3
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