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]+ 206.128776 147.5
[M+Na]+ 228.110718 154.5
[M-H]- 204.114224 149.4
[M+NH4]+ 223.155323 162.1
[M+K]+ 244.084658 151.2
[M+H-H2O]+ 188.118760 138.0
[M+HCOO]- 250.119701 164.8
[M+CH3COO]- 264.135351 185.7
[M+Na-2H]- 226.096166 152.6
[M]+ 205.12095142 144.1
[M]- 205.12204858 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