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

4454
Patents

300.27768 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.284956 181.0
[M+Na]+ 323.266898 182.6
[M-H]- 299.270404 179.5
[M+NH4]+ 318.311503 208.0
[M+K]+ 339.240838 175.8
[M+H-H2O]+ 283.274940 179.3
[M+HCOO]- 345.275881 223.0
[M+CH3COO]- 359.291531 206.3
[M+Na-2H]- 321.252346 184.3
[M]+ 300.27713142 183.6
[M]- 300.27822858 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

literature stripe

Patent stripe

patents stripe