CID 15433

1643-20-5

Structural Information

Molecular Formula
C14H31NO
SMILES
CCCCCCCCCCCC[N+](C)(C)[O-]
InChI
InChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16/h4-14H2,1-3H3
InChIKey
SYELZBGXAIXKHU-UHFFFAOYSA-N
Compound name
N,N-dimethyldodecan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

147
References

56245
Patents

229.24057 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.24785 162.5
[M+Na]+ 252.22979 166.3
[M-H]- 228.23329 161.6
[M+NH4]+ 247.27439 180.7
[M+K]+ 268.20373 160.0
[M+H-H2O]+ 212.23783 162.0
[M+HCOO]- 274.23877 183.9
[M+CH3COO]- 288.25442 192.0
[M+Na-2H]- 250.21524 168.0
[M]+ 229.24002 164.9
[M]- 229.24112 164.9
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

No patent data available for this compound.