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 147.2
[M+Na]+ 228.11072 153.2
[M-H]- 204.11422 148.7
[M+NH4]+ 223.15532 161.5
[M+K]+ 244.08466 150.0
[M+H-H2O]+ 188.11876 137.4
[M+HCOO]- 250.11970 164.5
[M+CH3COO]- 264.13535 184.6
[M+Na-2H]- 226.09617 153.1
[M]+ 205.12095 143.4
[M]- 205.12205 143.4
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.