CID 56842136

(z,z)-2-(di-9-octadecenylamino)ethanol

Structural Information

Molecular Formula
C38H75NO
SMILES
CCCCCCCC/C=C\CCCCCCCCN(CCO)CCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C38H75NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(37-38-40)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,40H,3-16,21-38H2,1-2H3/b19-17-,20-18-
InChIKey
QJWLXRCSILVSPL-CLFAGFIQSA-N
Compound name
2-[bis[(Z)-octadec-9-enyl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

300
Patents

561.58484 Da
Monoisotopic Mass

15.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 562.592116 267.7
[M+Na]+ 584.574058 274.7
[M-H]- 560.577564 249.5
[M+NH4]+ 579.618663 264.4
[M+K]+ 600.547998 275.3
[M+H-H2O]+ 544.582100 265.5
[M+HCOO]- 606.583041 272.5
[M+CH3COO]- 620.598691 266.2
[M+Na-2H]- 582.559506 250.1
[M]+ 561.58429142 265.4
[M]- 561.58538858 265.4
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

patents stripe