CID 6453319

56307-84-7

Structural Information

Molecular Formula
C23H40N
SMILES
CCCCCCCCCCCC[N+](C)(C)CC1=CC=C(C=C1)C=C
InChI
InChI=1S/C23H40N/c1-5-7-8-9-10-11-12-13-14-15-20-24(3,4)21-23-18-16-22(6-2)17-19-23/h6,16-19H,2,5,7-15,20-21H2,1,3-4H3/q+1
InChIKey
SXDSTRMQTDDQJE-UHFFFAOYSA-N
Compound name
dodecyl-[(4-ethenylphenyl)methyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

51
Patents

330.31607 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.32335 189.5
[M+Na]+ 353.30529 192.2
[M-H]- 329.30879 192.7
[M+NH4]+ 348.34989 204.3
[M+K]+ 369.27923 181.7
[M+H-H2O]+ 313.31333 184.4
[M+HCOO]- 375.31427 210.0
[M+CH3COO]- 389.32992 215.3
[M+Na-2H]- 351.29074 193.2
[M]+ 330.31552 193.3
[M]- 330.31662 193.3
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