CID 3032528

7128-91-8

Structural Information

Molecular Formula
C18H39NO
SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)[O-]
InChI
InChI=1S/C18H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2,3)20/h4-18H2,1-3H3
InChIKey
IBOBFGGLRNWLIL-UHFFFAOYSA-N
Compound name
N,N-dimethylhexadecan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

10726
Patents

285.30316 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.31044 181.3
[M+Na]+ 308.29238 183.4
[M-H]- 284.29588 179.7
[M+NH4]+ 303.33698 197.3
[M+K]+ 324.26632 176.1
[M+H-H2O]+ 268.30042 180.0
[M+HCOO]- 330.30136 201.4
[M+CH3COO]- 344.31701 204.2
[M+Na-2H]- 306.27783 184.7
[M]+ 285.30261 185.3
[M]- 285.30371 185.3
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