CID 126845878

3-[(piperidin-4-ylidene)methyl]pyridine dihydrochloride

Structural Information

Molecular Formula
C11H14N2
SMILES
C1CNCCC1=CC2=CN=CC=C2
InChI
InChI=1S/C11H14N2/c1-2-11(9-13-5-1)8-10-3-6-12-7-4-10/h1-2,5,8-9,12H,3-4,6-7H2
InChIKey
FRNVSEUBIIJSNS-UHFFFAOYSA-N
Compound name
3-(piperidin-4-ylidenemethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.11569 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.122966 139.7
[M+Na]+ 197.104908 144.5
[M-H]- 173.108414 141.0
[M+NH4]+ 192.149513 155.8
[M+K]+ 213.078848 140.1
[M+H-H2O]+ 157.112950 131.3
[M+HCOO]- 219.113891 156.8
[M+CH3COO]- 233.129541 150.4
[M+Na-2H]- 195.090356 146.0
[M]+ 174.11514142 131.7
[M]- 174.11623858 131.7
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.