CID 6912973

R779yg27tu

Structural Information

Molecular Formula
C24H49N2O
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NCCC[N+](C)(C)C
InChI
InChI=1S/C24H48N2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(27)25-22-20-23-26(2,3)4/h12-13H,5-11,14-23H2,1-4H3/p+1/b13-12-
InChIKey
NACAOHGUILYSHM-SEYXRHQNSA-O
Compound name
trimethyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

381.3845 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.39178 204.6
[M+Na]+ 404.37372 211.8
[M+NH4]+ 399.41832 210.2
[M+K]+ 420.34766 203.7
[M-H]- 380.37722 205.5
[M+Na-2H]- 402.35917 205.2
[M]+ 381.38395 205.9
[M]- 381.38505 205.9
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.