CID 45657

63951-23-5

Structural Information

Molecular Formula
C15H28N2
SMILES
C[N+](C)(C)CCCC1=CC=C(C=C1)[N+](C)(C)C
InChI
InChI=1S/C15H28N2/c1-16(2,3)13-7-8-14-9-11-15(12-10-14)17(4,5)6/h9-12H,7-8,13H2,1-6H3/q+2
InChIKey
CGVMGJRIBFICPT-UHFFFAOYSA-N
Compound name
trimethyl-[3-[4-(trimethylazaniumyl)phenyl]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.22525 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.23253 152.7
[M+Na]+ 259.21447 158.3
[M-H]- 235.21797 159.2
[M+NH4]+ 254.25907 171.6
[M+K]+ 275.18841 146.4
[M+H-H2O]+ 219.22251 152.2
[M+HCOO]- 281.22345 176.0
[M+CH3COO]- 295.23910 194.3
[M+Na-2H]- 257.19992 165.0
[M]+ 236.22470 153.1
[M]- 236.22580 153.1
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.