CID 3020912

Ns00065034

Structural Information

Molecular Formula
C25H53NO2
SMILES
CCCCCCCCCCCCCCCCCCNC(CC(C)O)CC(C)O
InChI
InChI=1S/C25H53NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-25(21-23(2)27)22-24(3)28/h23-28H,4-22H2,1-3H3
InChIKey
SAJMCUJFENAFRF-UHFFFAOYSA-N
Compound name
4-(octadecylamino)heptane-2,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.40762 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.414896 216.8
[M+Na]+ 422.396838 213.6
[M-H]- 398.400344 210.6
[M+NH4]+ 417.441443 221.3
[M+K]+ 438.370778 209.1
[M+H-H2O]+ 382.404880 208.7
[M+HCOO]- 444.405821 225.5
[M+CH3COO]- 458.421471 229.9
[M+Na-2H]- 420.382286 209.1
[M]+ 399.40707142 221.4
[M]- 399.40816858 221.4
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.