CID 667141

66373-33-9

Structural Information

Molecular Formula

C₁₂H₁₇N₃O

SMILES

CC1=NC(=NC=C1C(=O)C)N2CCCCC2

InChI

InChI=1S/C12H17N3O/c1-9-11(10(2)16)8-13-12(14-9)15-6-4-3-5-7-15/h8H,3-7H2,1-2H3

InChIKey

SLSFPTLEGUHGCR-UHFFFAOYSA-N

Compound name

1-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1
Patents: 219.13716 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	220.144436	151.7
[M+Na]+	242.126378	158.0
[M-H]-	218.129884	153.6
[M+NH4]+	237.170983	165.7
[M+K]+	258.100318	155.0
[M+H-H2O]+	202.134420	142.2
[M+HCOO]-	264.135361	167.7
[M+CH3COO]-	278.151011	189.5
[M+Na-2H]-	240.111826	155.2
[M]+	219.13661142	148.1
[M]-	219.13770858	148.1

Literature stripe

literature stripe

Patent stripe

patents stripe