CID 3085552

2-hexadecyldimethylamine oxide

Structural Information

Molecular Formula
C18H39NO
SMILES
CCCCCCCCCCCCCC[C@@H](C)[N+](C)(C)[O-]
InChI
InChI=1S/C18H39NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(3,4)20/h18H,5-17H2,1-4H3/t18-/m1/s1
InChIKey
YTMRCGDXXPVCNT-GOSISDBHSA-N
Compound name
(2R)-N,N-dimethylhexadecan-2-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

285.30316 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.31044 177.2
[M+Na]+ 308.29238 186.4
[M+NH4]+ 303.33698 184.4
[M+K]+ 324.26632 180.5
[M-H]- 284.29588 178.2
[M+Na-2H]- 306.27783 178.8
[M]+ 285.30261 178.8
[M]- 285.30371 178.8
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