CID 124611

Einecs 246-819-9

Structural Information

Molecular Formula
C19H34N
SMILES
CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1
InChI
InChI=1S/C19H34N/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19/h10-14H,4-9,15-18H2,1-3H3/q+1
InChIKey
QSRFYFHZPSGRQX-UHFFFAOYSA-N
Compound name
benzyl(tributyl)azanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

19236
Patents

276.26913 Da
Monoisotopic Mass

5.5
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