CID 4305281

202327-91-1

Structural Information

Molecular Formula
C24H50NO2
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[N+](C)(CC)CC
InChI
InChI=1S/C24H50NO2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26)27-23-25(4,6-2)7-3/h5-23H2,1-4H3/q+1
InChIKey
JXLUOYXCOCIXMG-UHFFFAOYSA-N
Compound name
diethyl-methyl-(octadecanoyloxymethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.38416 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.39144 208.6
[M+Na]+ 407.37338 208.6
[M-H]- 383.37688 214.1
[M+NH4]+ 402.41798 224.7
[M+K]+ 423.34732 200.0
[M+H-H2O]+ 367.38142 203.7
[M+HCOO]- 429.38236 239.4
[M+CH3COO]- 443.39801 225.5
[M+Na-2H]- 405.35883 208.9
[M]+ 384.38361 217.1
[M]- 384.38471 217.1
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.