CID 9260

Pyrimidine

Structural Information

Molecular Formula

C₄H₄N₂

SMILES

C1=CN=CN=C1

InChI

InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H

InChIKey

CZPWVGJYEJSRLH-UHFFFAOYSA-N

Compound name

pyrimidine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 8748
References: 80564
Patents: 80.037445 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]+	81.044721	110.8
[M+Na]+	103.02666	125.0
[M+NH4]+	98.071268	120.2
[M+K]+	119.00060	118.3
[M-H]-	79.030169	112.6
[M+Na-2H]-	101.01211	120.4
[M]+	80.036896	113.3
[M]-	80.037994	113.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe