CID 94599

Laurylamidopropyldimethylamine oxide

Structural Information

Molecular Formula
C17H36N2O2
SMILES
CCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-]
InChI
InChI=1S/C17H36N2O2/c1-4-5-6-7-8-9-10-11-12-14-17(20)18-15-13-16-19(2,3)21/h4-16H2,1-3H3,(H,18,20)
InChIKey
JNGWKQJZIUZUPR-UHFFFAOYSA-N
Compound name
3-(dodecanoylamino)-N,N-dimethylpropan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

4451
Patents

300.27768 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.28496 181.0
[M+Na]+ 323.26690 182.6
[M-H]- 299.27040 179.5
[M+NH4]+ 318.31150 208.0
[M+K]+ 339.24084 175.8
[M+H-H2O]+ 283.27494 179.3
[M+HCOO]- 345.27588 223.0
[M+CH3COO]- 359.29153 206.3
[M+Na-2H]- 321.25235 184.3
[M]+ 300.27713 183.6
[M]- 300.27823 183.6
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.