CID 480909

(cyclohexyloxymethyl)dodecyldimethylamine, chloride

Structural Information

Molecular Formula
C21H44NO
SMILES
CCCCCCCCCCCC[N+](C)(C)COC1CCCCC1
InChI
InChI=1S/C21H44NO/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-23-21-17-14-13-15-18-21/h21H,4-20H2,1-3H3/q+1
InChIKey
KGIZPMVHGQDQNL-UHFFFAOYSA-N
Compound name
cyclohexyloxymethyl-dodecyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.3423 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.34958 189.7
[M+Na]+ 349.33152 188.7
[M-H]- 325.33502 191.6
[M+NH4]+ 344.37612 204.0
[M+K]+ 365.30546 180.6
[M+H-H2O]+ 309.33956 184.5
[M+HCOO]- 371.34050 206.5
[M+CH3COO]- 385.35615 212.2
[M+Na-2H]- 347.31697 192.2
[M]+ 326.34175 190.1
[M]- 326.34285 190.1
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.