CID 18525897

1-(6-methylpyrazin-2-yl)piperidine-4-carbaldehyde

Structural Information

Molecular Formula
C11H15N3O
SMILES
CC1=CN=CC(=N1)N2CCC(CC2)C=O
InChI
InChI=1S/C11H15N3O/c1-9-6-12-7-11(13-9)14-4-2-10(8-15)3-5-14/h6-8,10H,2-5H2,1H3
InChIKey
KWDJDKVUDZLNOD-UHFFFAOYSA-N
Compound name
1-(6-methylpyrazin-2-yl)piperidine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

205.1215 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.12878 147.5
[M+Na]+ 228.11072 154.5
[M-H]- 204.11422 149.4
[M+NH4]+ 223.15532 162.1
[M+K]+ 244.08466 151.2
[M+H-H2O]+ 188.11876 138.0
[M+HCOO]- 250.11970 164.8
[M+CH3COO]- 264.13535 185.7
[M+Na-2H]- 226.09617 152.6
[M]+ 205.12095 144.1
[M]- 205.12205 144.1
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