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

0
Patents

219.13716 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.14444 151.7
[M+Na]+ 242.12638 158.0
[M-H]- 218.12988 153.6
[M+NH4]+ 237.17098 165.7
[M+K]+ 258.10032 155.0
[M+H-H2O]+ 202.13442 142.2
[M+HCOO]- 264.13536 167.7
[M+CH3COO]- 278.15101 189.5
[M+Na-2H]- 240.11183 155.2
[M]+ 219.13661 148.1
[M]- 219.13771 148.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe