CID 62698846

1251202-96-6

Structural Information

Molecular Formula
C11H15N3O
SMILES
C1CN(CCC1C=O)CC2=NC=CC=N2
InChI
InChI=1S/C11H15N3O/c15-9-10-2-6-14(7-3-10)8-11-12-4-1-5-13-11/h1,4-5,9-10H,2-3,6-8H2
InChIKey
FWEHBKYCNPTPJJ-UHFFFAOYSA-N
Compound name
1-(pyrimidin-2-ylmethyl)piperidine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.1215 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.12878 147.7
[M+Na]+ 228.11072 160.7
[M+NH4]+ 223.15532 155.2
[M+K]+ 244.08466 153.6
[M-H]- 204.11422 150.0
[M+Na-2H]- 226.09617 155.2
[M]+ 205.12095 150.0
[M]- 205.12205 150.0
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.