CID 114032

Tl 1425

Structural Information

Molecular Formula
C11H20N2
SMILES
C[N+]1=CC=C(C=C1)CC[N+](C)(C)C
InChI
InChI=1S/C11H20N2/c1-12-8-5-11(6-9-12)7-10-13(2,3)4/h5-6,8-9H,7,10H2,1-4H3/q+2
InChIKey
JXPKESRDFNDKOJ-UHFFFAOYSA-N
Compound name
trimethyl-[2-(1-methylpyridin-1-ium-4-yl)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.16264 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.16992 138.3
[M+Na]+ 203.15186 155.3
[M+NH4]+ 198.19646 149.6
[M+K]+ 219.12580 149.4
[M-H]- 179.15536 144.8
[M+Na-2H]- 201.13731 148.5
[M]+ 180.16209 143.5
[M]- 180.16319 143.5
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.