CID 3025241

102339-10-6

Structural Information

Molecular Formula
C12H23N2
SMILES
C[N+]1(CCC(=CC1)N2CCCCC2)C
InChI
InChI=1S/C12H23N2/c1-14(2)10-6-12(7-11-14)13-8-4-3-5-9-13/h6H,3-5,7-11H2,1-2H3/q+1
InChIKey
AYEMZWRGUYTFPS-UHFFFAOYSA-N
Compound name
1,1-dimethyl-4-piperidin-1-yl-3,6-dihydro-2H-pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.18613 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.19341 146.8
[M+Na]+ 218.17535 150.8
[M-H]- 194.17885 149.7
[M+NH4]+ 213.21995 165.0
[M+K]+ 234.14929 143.0
[M+H-H2O]+ 178.18339 141.3
[M+HCOO]- 240.18433 161.6
[M+CH3COO]- 254.19998 177.4
[M+Na-2H]- 216.16080 153.4
[M]+ 195.18558 138.0
[M]- 195.18668 138.0
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.