CID 67355

Laurolinium acetate

Structural Information

Molecular Formula
C22H35N2
SMILES
CCCCCCCCCCCC[N+]1=C(C=C(C2=CC=CC=C21)N)C
InChI
InChI=1S/C22H34N2/c1-3-4-5-6-7-8-9-10-11-14-17-24-19(2)18-21(23)20-15-12-13-16-22(20)24/h12-13,15-16,18,23H,3-11,14,17H2,1-2H3/p+1
InChIKey
MJWHEEXHUDCWDA-UHFFFAOYSA-O
Compound name
1-dodecyl-2-methylquinolin-1-ium-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

293
Patents

327.28003 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.28731 188.4
[M+Na]+ 350.26925 193.4
[M-H]- 326.27275 190.0
[M+NH4]+ 345.31385 202.0
[M+K]+ 366.24319 181.5
[M+H-H2O]+ 310.27729 182.2
[M+HCOO]- 372.27823 207.1
[M+CH3COO]- 386.29388 211.5
[M+Na-2H]- 348.25470 192.2
[M]+ 327.27948 190.4
[M]- 327.28058 190.4
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

patents stripe