CID 480908

(cyclopentyloxymethyl)dodecyldimethylamine, chloride

Structural Information

Molecular Formula
C20H42NO
SMILES
CCCCCCCCCCCC[N+](C)(C)COC1CCCC1
InChI
InChI=1S/C20H42NO/c1-4-5-6-7-8-9-10-11-12-15-18-21(2,3)19-22-20-16-13-14-17-20/h20H,4-19H2,1-3H3/q+1
InChIKey
NCTIVWVUJRLUCQ-UHFFFAOYSA-N
Compound name
cyclopentyloxymethyl-dodecyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.32663 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.33391 186.8
[M+Na]+ 335.31585 187.3
[M-H]- 311.31935 189.2
[M+NH4]+ 330.36045 203.5
[M+K]+ 351.28979 179.3
[M+H-H2O]+ 295.32389 182.2
[M+HCOO]- 357.32483 206.1
[M+CH3COO]- 371.34048 208.9
[M+Na-2H]- 333.30130 188.8
[M]+ 312.32608 188.9
[M]- 312.32718 188.9
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.