CID 480924

[(3,7-dimethyloctyloxy)methyl]dimethyloctylamine, chloride

Structural Information

Molecular Formula
C21H46NO
SMILES
CCCCCCCC[N+](C)(C)COCCC(C)CCCC(C)C
InChI
InChI=1S/C21H46NO/c1-7-8-9-10-11-12-17-22(5,6)19-23-18-16-21(4)15-13-14-20(2)3/h20-21H,7-19H2,1-6H3/q+1
InChIKey
WNRVURXNIFEOKX-UHFFFAOYSA-N
Compound name
3,7-dimethyloctoxymethyl-dimethyl-octylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.35794 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.36522 193.0
[M+Na]+ 351.34716 193.7
[M-H]- 327.35066 192.6
[M+NH4]+ 346.39176 207.9
[M+K]+ 367.32110 186.6
[M+H-H2O]+ 311.35520 189.0
[M+HCOO]- 373.35614 210.7
[M+CH3COO]- 387.37179 217.2
[M+Na-2H]- 349.33261 193.5
[M]+ 328.35739 199.1
[M]- 328.35849 199.1
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.