CID 111007

3-(hexadecylamino)propane-1,2-diol

Structural Information

Molecular Formula
C19H41NO2
SMILES
CCCCCCCCCCCCCCCCNCC(CO)O
InChI
InChI=1S/C19H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-19(22)18-21/h19-22H,2-18H2,1H3
InChIKey
NQDNTSUCOCYXMR-UHFFFAOYSA-N
Compound name
3-(hexadecylamino)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

315.31372 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.320996 188.5
[M+Na]+ 338.302938 188.2
[M-H]- 314.306444 183.3
[M+NH4]+ 333.347543 201.4
[M+K]+ 354.276878 184.2
[M+H-H2O]+ 298.310980 181.2
[M+HCOO]- 360.311921 205.4
[M+CH3COO]- 374.327571 210.6
[M+Na-2H]- 336.288386 186.6
[M]+ 315.31317142 192.2
[M]- 315.31426858 192.2
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