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 206.4
[M+Na]+ 404.37372 205.8
[M-H]- 380.37722 205.3
[M+NH4]+ 399.41832 231.5
[M+K]+ 420.34766 196.2
[M+H-H2O]+ 364.38176 201.3
[M+HCOO]- 426.38270 246.2
[M+CH3COO]- 440.39835 226.8
[M+Na-2H]- 402.35917 207.0
[M]+ 381.38395 211.8
[M]- 381.38505 211.8
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.