CID 11298602

1-benzyl-1,2,3,6-tetrahydropyridine-4-carbaldehyde

Structural Information

Molecular Formula
C13H15NO
SMILES
C1CN(CC=C1C=O)CC2=CC=CC=C2
InChI
InChI=1S/C13H15NO/c15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h1-6,11H,7-10H2
InChIKey
VQMWEQIVPYSFPO-UHFFFAOYSA-N
Compound name
1-benzyl-3,6-dihydro-2H-pyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

201.11537 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.12265 144.6
[M+Na]+ 224.10459 150.8
[M-H]- 200.10809 149.3
[M+NH4]+ 219.14919 162.1
[M+K]+ 240.07853 147.4
[M+H-H2O]+ 184.11263 136.6
[M+HCOO]- 246.11357 165.6
[M+CH3COO]- 260.12922 184.6
[M+Na-2H]- 222.09004 150.6
[M]+ 201.11482 142.1
[M]- 201.11592 142.1
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

patents stripe