CID 21156095

72987-27-0

Structural Information

Molecular Formula
C22H46N2O3
SMILES
CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(CCO)[O-]
InChI
InChI=1S/C22H46N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-22(26)23-18-16-19-24(2,27)20-21-25/h25H,3-21H2,1-2H3,(H,23,26)
InChIKey
ZPOZDECDZILOJC-UHFFFAOYSA-N
Compound name
3-(hexadecanoylamino)-N-(2-hydroxyethyl)-N-methylpropan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.35083 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.35811 214.3
[M+Na]+ 409.34005 217.5
[M+NH4]+ 404.38465 220.2
[M+K]+ 425.31399 223.6
[M-H]- 385.34355 206.8
[M+Na-2H]- 407.32550 206.3
[M]+ 386.35028 213.6
[M]- 386.35138 213.6
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.