CID 124727

N,n-dimethyl-1-methyldodecylamine oxide

Structural Information

Molecular Formula
C15H33NO
SMILES
CCCCCCCCCCCC(C)[N+](C)(C)[O-]
InChI
InChI=1S/C15H33NO/c1-5-6-7-8-9-10-11-12-13-14-15(2)16(3,4)17/h15H,5-14H2,1-4H3
InChIKey
LSTLKVDCBYTHPD-UHFFFAOYSA-N
Compound name
N,N-dimethyltridecan-2-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

24
Patents

243.25621 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.263486 167.0
[M+Na]+ 266.245428 170.2
[M-H]- 242.248934 166.0
[M+NH4]+ 261.290033 184.7
[M+K]+ 282.219368 164.1
[M+H-H2O]+ 226.253470 166.4
[M+HCOO]- 288.254411 187.1
[M+CH3COO]- 302.270061 195.6
[M+Na-2H]- 264.230876 170.8
[M]+ 243.25566142 169.2
[M]- 243.25675858 169.2
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