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
3
Annotation Hits

0
References

9756
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

literature stripe

Patent stripe

patents stripe