CID 480922

Dimethyl[(methylbutoxy)methyl]octylamine, chloride

Structural Information

Molecular Formula
C16H36NO
SMILES
CCCCCCCC[N+](C)(C)COC(C)CCC
InChI
InChI=1S/C16H36NO/c1-6-8-9-10-11-12-14-17(4,5)15-18-16(3)13-7-2/h16H,6-15H2,1-5H3/q+1
InChIKey
QRAKRAUCZIOLQF-UHFFFAOYSA-N
Compound name
dimethyl-octyl-(pentan-2-yloxymethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.2797 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.28698 169.7
[M+Na]+ 281.26892 172.7
[M-H]- 257.27242 170.2
[M+NH4]+ 276.31352 187.5
[M+K]+ 297.24286 166.4
[M+H-H2O]+ 241.27696 166.5
[M+HCOO]- 303.27790 190.1
[M+CH3COO]- 317.29355 201.6
[M+Na-2H]- 279.25437 174.1
[M]+ 258.27915 174.5
[M]- 258.28025 174.5
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.