CID 172640783

3-aminononadecane-2,4-diol

Structural Information

Molecular Formula
C19H41NO2
SMILES
CCCCCCCCCCCCCCCC(C(C(C)O)N)O
InChI
InChI=1S/C19H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(22)19(20)17(2)21/h17-19,21-22H,3-16,20H2,1-2H3
InChIKey
HPIGIWBWNZJIGV-UHFFFAOYSA-N
Compound name
3-aminononadecane-2,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 191.0
[M+Na]+ 338.302938 190.3
[M-H]- 314.306444 185.5
[M+NH4]+ 333.347543 203.5
[M+K]+ 354.276878 187.0
[M+H-H2O]+ 298.310980 184.0
[M+HCOO]- 360.311921 205.3
[M+CH3COO]- 374.327571 211.7
[M+Na-2H]- 336.288386 185.3
[M]+ 315.31317142 192.3
[M]- 315.31426858 192.3
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

No patent data available for this compound.