CID 103152

65086-70-6

Structural Information

Molecular Formula
C24H47NO2
SMILES
CCCCCCC=CCCC=CCCCCCCN(CC(C)O)CC(C)O
InChI
InChI=1S/C24H47NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(21-23(2)26)22-24(3)27/h9-10,13-14,23-24,26-27H,4-8,11-12,15-22H2,1-3H3
InChIKey
ILWGQRCFIKROEO-UHFFFAOYSA-N
Compound name
1-[2-hydroxypropyl(octadeca-7,11-dienyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.3607 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.36798 209.9
[M+Na]+ 404.34992 208.3
[M-H]- 380.35342 205.5
[M+NH4]+ 399.39452 220.7
[M+K]+ 420.32386 203.7
[M+H-H2O]+ 364.35796 202.0
[M+HCOO]- 426.35890 225.1
[M+CH3COO]- 440.37455 226.6
[M+Na-2H]- 402.33537 203.3
[M]+ 381.36015 214.5
[M]- 381.36125 214.5
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.