CID 19965723

72829-20-0

Structural Information

Molecular Formula
C24H50NO3
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCO
InChI
InChI=1S/C24H50NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(27)28-23-21-25(2,3)20-22-26/h26H,4-23H2,1-3H3/q+1
InChIKey
SBYISQPFTALOIF-UHFFFAOYSA-N
Compound name
2-hydroxyethyl-dimethyl-(2-octadecanoyloxyethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

400.37906 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.38634 211.4
[M+Na]+ 423.36828 230.6
[M-H]- 399.37178 214.6
[M+NH4]+ 418.41288 223.4
[M+K]+ 439.34222 201.9
[M+H-H2O]+ 383.37632 206.5
[M+HCOO]- 445.37726 238.0
[M+CH3COO]- 459.39291 224.5
[M+Na-2H]- 421.35373 211.4
[M]+ 400.37851 223.7
[M]- 400.37961 223.7
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