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-methyl-2-pyridinyl)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]+ 205.133546 146.7
[M+Na]+ 227.115488 153.2
[M-H]- 203.118994 150.0
[M+NH4]+ 222.160093 162.8
[M+K]+ 243.089428 150.0
[M+H-H2O]+ 187.123530 138.0
[M+HCOO]- 249.124471 165.1
[M+CH3COO]- 263.140121 185.8
[M+Na-2H]- 225.100936 151.3
[M]+ 204.12572142 143.2
[M]- 204.12681858 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