CID 480907

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

Structural Information

Molecular Formula
C25H54NO
SMILES
CCCCCCCCCCCC[N+](C)(C)COCCC(C)CCCC(C)C
InChI
InChI=1S/C25H54NO/c1-7-8-9-10-11-12-13-14-15-16-21-26(5,6)23-27-22-20-25(4)19-17-18-24(2)3/h24-25H,7-23H2,1-6H3/q+1
InChIKey
RTHWZDVSKDUEPK-UHFFFAOYSA-N
Compound name
3,7-dimethyloctoxymethyl-dodecyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.42053 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.42781 211.5
[M+Na]+ 407.40975 210.5
[M-H]- 383.41325 210.3
[M+NH4]+ 402.45435 229.6
[M+K]+ 423.38369 202.3
[M+H-H2O]+ 367.41779 206.7
[M+HCOO]- 429.41873 240.1
[M+CH3COO]- 443.43438 229.0
[M+Na-2H]- 405.39520 209.8
[M]+ 384.41998 219.0
[M]- 384.42108 219.0
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.