CID 3056867

73855-27-3

Structural Information

Molecular Formula
C9H16N
SMILES
C[N+]1(CCC=CC1)CC=C
InChI
InChI=1S/C9H16N/c1-3-7-10(2)8-5-4-6-9-10/h3-5H,1,6-9H2,2H3/q+1
InChIKey
ONGBZQAGLDSGAT-UHFFFAOYSA-N
Compound name
1-methyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.12828 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.13556 128.4
[M+Na]+ 161.11750 134.9
[M-H]- 137.12100 130.5
[M+NH4]+ 156.16210 150.7
[M+K]+ 177.09144 127.7
[M+H-H2O]+ 121.12554 125.8
[M+HCOO]- 183.12648 148.7
[M+CH3COO]- 197.14213 167.0
[M+Na-2H]- 159.10295 138.1
[M]+ 138.12773 123.9
[M]- 138.12883 123.9
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.