CID 51059955

1-(cyclohexyloxy)-n,n,n-trimethyl-1-oxo-2-dodecanaminium bromide

Structural Information

Molecular Formula
C21H42NO2
SMILES
CCCCCCCCCCC(C(=O)OC1CCCCC1)[N+](C)(C)C
InChI
InChI=1S/C21H42NO2/c1-5-6-7-8-9-10-11-15-18-20(22(2,3)4)21(23)24-19-16-13-12-14-17-19/h19-20H,5-18H2,1-4H3/q+1
InChIKey
GITLQXAHPNEUHZ-UHFFFAOYSA-N
Compound name
(1-cyclohexyloxy-1-oxododecan-2-yl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.32156 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.32884 188.7
[M+Na]+ 363.31078 197.2
[M+NH4]+ 358.35538 196.2
[M+K]+ 379.28472 191.1
[M-H]- 339.31428 191.5
[M+Na-2H]- 361.29623 191.5
[M]+ 340.32101 190.9
[M]- 340.32211 190.9
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.