CID 22247

Dtxsid10974985

Structural Information

Molecular Formula
C11H17N2
SMILES
C[N+]1(CCCC1C2=CN=CC=C2)C
InChI
InChI=1S/C11H17N2/c1-13(2)8-4-6-11(13)10-5-3-7-12-9-10/h3,5,7,9,11H,4,6,8H2,1-2H3/q+1
InChIKey
WYBBYUGHCIQZBV-UHFFFAOYSA-N
Compound name
3-(1,1-dimethylpyrrolidin-1-ium-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

36
Patents

177.13918 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.14646 137.9
[M+Na]+ 200.12840 145.5
[M-H]- 176.13190 142.2
[M+NH4]+ 195.17300 159.1
[M+K]+ 216.10234 137.5
[M+H-H2O]+ 160.13644 133.2
[M+HCOO]- 222.13738 158.3
[M+CH3COO]- 236.15303 173.3
[M+Na-2H]- 198.11385 145.7
[M]+ 177.13863 133.9
[M]- 177.13973 133.9
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.