CID 3085548

2-octadecyldimethylamine oxide

Structural Information

Molecular Formula
C20H43NO
SMILES
CCCCCCCCCCCCCCCC[C@@H](C)[N+](C)(C)[O-]
InChI
InChI=1S/C20H43NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21(3,4)22/h20H,5-19H2,1-4H3/t20-/m1/s1
InChIKey
GHKNNRITBAAVJP-HXUWFJFHSA-N
Compound name
(2R)-N,N-dimethyloctadecan-2-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

313.33447 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.34175 190.6
[M+Na]+ 336.32369 191.7
[M-H]- 312.32719 188.7
[M+NH4]+ 331.36829 208.4
[M+K]+ 352.29763 184.3
[M+H-H2O]+ 296.33173 189.0
[M+HCOO]- 358.33267 223.7
[M+CH3COO]- 372.34832 210.8
[M+Na-2H]- 334.30914 191.7
[M]+ 313.33392 194.7
[M]- 313.33502 194.7
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