CID 134625

7279-51-8

Structural Information

Molecular Formula
C11H20N2
SMILES
C[N+]1=CC=CC=C1CC[N+](C)(C)C
InChI
InChI=1S/C11H20N2/c1-12-9-6-5-7-11(12)8-10-13(2,3)4/h5-7,9H,8,10H2,1-4H3/q+2
InChIKey
NHBGDCJZIATFOG-UHFFFAOYSA-N
Compound name
trimethyl-[2-(1-methylpyridin-1-ium-2-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 139.3
[M+Na]+ 203.15186 146.7
[M-H]- 179.15536 143.6
[M+NH4]+ 198.19646 158.5
[M+K]+ 219.12580 134.7
[M+H-H2O]+ 163.15990 138.6
[M+HCOO]- 225.16084 161.9
[M+CH3COO]- 239.17649 177.1
[M+Na-2H]- 201.13731 152.0
[M]+ 180.16209 138.7
[M]- 180.16319 138.7
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.