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]+ 175.12297 139.7
[M+Na]+ 197.10491 144.5
[M-H]- 173.10841 141.0
[M+NH4]+ 192.14951 155.8
[M+K]+ 213.07885 140.1
[M+H-H2O]+ 157.11295 131.3
[M+HCOO]- 219.11389 156.8
[M+CH3COO]- 233.12954 150.4
[M+Na-2H]- 195.09036 146.0
[M]+ 174.11514 131.7
[M]- 174.11624 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.