CID 572516

4,5-dimethylpyrimidine hydrochloride

Structural Information

Molecular Formula

C₆H₈N₂

SMILES

CC1=CN=CN=C1C

InChI

InChI=1S/C6H8N2/c1-5-3-7-4-8-6(5)2/h3-4H,1-2H3

InChIKey

XPCYMUBTCGGWOH-UHFFFAOYSA-N

Compound name

4,5-dimethylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1253
Patents: 108.06875 Da
Monoisotopic Mass: 1.0
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]+	109.076026	118.6
[M+Na]+	131.057968	128.4
[M-H]-	107.061474	120.0
[M+NH4]+	126.102573	139.3
[M+K]+	147.031908	127.1
[M+H-H2O]+	91.066010	112.1
[M+HCOO]-	153.066951	141.6
[M+CH3COO]-	167.082601	168.8
[M+Na-2H]-	129.043416	128.0
[M]+	108.06820142	118.9
[M]-	108.06929858	118.9

Literature stripe

literature stripe

Patent stripe

patents stripe