CID 639849

5-ethenylpyrimidine

Structural Information

Molecular Formula

C₆H₆N₂

SMILES

C=CC1=CN=CN=C1

InChI

InChI=1S/C6H6N2/c1-2-6-3-7-5-8-4-6/h2-5H,1H2

InChIKey

HXXVIKZQIFTJOQ-UHFFFAOYSA-N

Compound name

5-ethenylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1818
Patents: 106.0531 Da
Monoisotopic Mass: 0.4
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]+	107.06038	118.9
[M+Na]+	129.04232	133.1
[M+NH4]+	124.08692	127.7
[M+K]+	145.01626	126.0
[M-H]-	105.04582	120.4
[M+Na-2H]-	127.02777	127.5
[M]+	106.05255	121.3
[M]-	106.05365	121.3

Literature stripe

literature stripe

Patent stripe

patents stripe