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]+ 202.122646 144.6
[M+Na]+ 224.104588 150.8
[M-H]- 200.108094 149.3
[M+NH4]+ 219.149193 162.1
[M+K]+ 240.078528 147.4
[M+H-H2O]+ 184.112630 136.6
[M+HCOO]- 246.113571 165.6
[M+CH3COO]- 260.129221 184.6
[M+Na-2H]- 222.090036 150.6
[M]+ 201.11482142 142.1
[M]- 201.11591858 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