CID 3051266

67361-10-8

Structural Information

Molecular Formula
C18H31N2
SMILES
CCCCN1CC[N+](CC1)(C)C(C)CC2=CC=CC=C2
InChI
InChI=1S/C18H31N2/c1-4-5-11-19-12-14-20(3,15-13-19)17(2)16-18-9-7-6-8-10-18/h6-10,17H,4-5,11-16H2,1-3H3/q+1
InChIKey
SJNJACUVTQAGPC-UHFFFAOYSA-N
Compound name
4-butyl-1-methyl-1-(1-phenylpropan-2-yl)piperazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.24872 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.25600 170.3
[M+Na]+ 298.23794 173.5
[M-H]- 274.24144 172.8
[M+NH4]+ 293.28254 185.3
[M+K]+ 314.21188 164.1
[M+H-H2O]+ 258.24598 163.8
[M+HCOO]- 320.24692 184.9
[M+CH3COO]- 334.26257 195.4
[M+Na-2H]- 296.22339 174.6
[M]+ 275.24817 165.8
[M]- 275.24927 165.8
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.