CID 135508651

68087-21-8

Structural Information

Molecular Formula

C₁₀H₁₇N₃O

SMILES

CCN(CC)CC1=CC(=O)NC(=N1)C

InChI

InChI=1S/C10H17N3O/c1-4-13(5-2)7-9-6-10(14)12-8(3)11-9/h6H,4-5,7H2,1-3H3,(H,11,12,14)

InChIKey

ISJJUXPLURIOKP-UHFFFAOYSA-N

Compound name

4-(diethylaminomethyl)-2-methyl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 195.13716 Da
Monoisotopic Mass: -0.1
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]+	196.14444	144.1
[M+Na]+	218.12638	156.0
[M+NH4]+	213.17098	150.9
[M+K]+	234.10032	150.2
[M-H]-	194.12988	145.1
[M+Na-2H]-	216.11183	149.9
[M]+	195.13661	145.8
[M]-	195.13771	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe