CID 62663449

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

Structural Information

Molecular Formula
C12H16N2O
SMILES
CC1=NC(=CC=C1)N2CCC(CC2)C=O
InChI
InChI=1S/C12H16N2O/c1-10-3-2-4-12(13-10)14-7-5-11(9-15)6-8-14/h2-4,9,11H,5-8H2,1H3
InChIKey
XBUHJHCKRPGPKB-UHFFFAOYSA-N
Compound name
1-(6-methylpyridin-2-yl)piperidine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

204.12627 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 146.7
[M+Na]+ 227.11549 153.2
[M-H]- 203.11899 150.0
[M+NH4]+ 222.16009 162.8
[M+K]+ 243.08943 150.0
[M+H-H2O]+ 187.12353 138.0
[M+HCOO]- 249.12447 165.1
[M+CH3COO]- 263.14012 185.8
[M+Na-2H]- 225.10094 151.3
[M]+ 204.12572 143.2
[M]- 204.12682 143.2
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