CID 17388

Dimethylstearylamine oxide

Structural Information

Molecular Formula
C20H43NO
SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)[O-]
InChI
InChI=1S/C20H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)22/h4-20H2,1-3H3
InChIKey
UTTVXKGNTWZECK-UHFFFAOYSA-N
Compound name
N,N-dimethyloctadecan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

9854
Patents

313.33447 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.34175 190.6
[M+Na]+ 336.32369 191.9
[M-H]- 312.32719 188.6
[M+NH4]+ 331.36829 208.5
[M+K]+ 352.29763 184.0
[M+H-H2O]+ 296.33173 188.9
[M+HCOO]- 358.33267 227.6
[M+CH3COO]- 372.34832 210.3
[M+Na-2H]- 334.30914 192.9
[M]+ 313.33392 195.3
[M]- 313.33502 195.3
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.