CID 13763

Ccris 4586

Structural Information

Molecular Formula
C19H34N
SMILES
CCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1
InChI
InChI=1S/C19H34N/c1-4-5-6-7-8-9-10-14-17-20(2,3)18-19-15-12-11-13-16-19/h11-13,15-16H,4-10,14,17-18H2,1-3H3/q+1
InChIKey
UARILQSOMYIQCM-UHFFFAOYSA-N
Compound name
benzyl-decyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

4372
Patents

276.26913 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.27641 173.1
[M+Na]+ 299.25835 176.1
[M-H]- 275.26185 176.6
[M+NH4]+ 294.30295 189.7
[M+K]+ 315.23229 167.3
[M+H-H2O]+ 259.26639 168.5
[M+HCOO]- 321.26733 194.7
[M+CH3COO]- 335.28298 203.3
[M+Na-2H]- 297.24380 179.5
[M]+ 276.26858 175.6
[M]- 276.26968 175.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe