CID 480910

(cycloheptyloxymethyl)dodecyldimethylamine, chloride

Structural Information

Molecular Formula
C22H46NO
SMILES
CCCCCCCCCCCC[N+](C)(C)COC1CCCCCC1
InChI
InChI=1S/C22H46NO/c1-4-5-6-7-8-9-10-11-14-17-20-23(2,3)21-24-22-18-15-12-13-16-19-22/h22H,4-21H2,1-3H3/q+1
InChIKey
HLYCWGWPNWMJPZ-UHFFFAOYSA-N
Compound name
cycloheptyloxymethyl-dodecyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.35794 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.36522 187.9
[M+Na]+ 363.34716 185.0
[M-H]- 339.35066 190.7
[M+NH4]+ 358.39176 200.5
[M+K]+ 379.32110 181.3
[M+H-H2O]+ 323.35520 183.3
[M+HCOO]- 385.35614 203.8
[M+CH3COO]- 399.37179 215.0
[M+Na-2H]- 361.33261 189.7
[M]+ 340.35739 185.4
[M]- 340.35849 185.4
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.