CID 13640878

108444-56-0

Structural Information

Molecular Formula

C₆H₇N₃

SMILES

C=CC1=CN=C(N=C1)N

InChI

InChI=1S/C6H7N3/c1-2-5-3-8-6(7)9-4-5/h2-4H,1H2,(H2,7,8,9)

InChIKey

LUYOMLHOURXTCL-UHFFFAOYSA-N

Compound name

5-ethenylpyrimidin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 121.063995 Da
Monoisotopic Mass: 0.6
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]+	122.07127	122.6
[M+Na]+	144.05321	131.8
[M-H]-	120.05672	123.5
[M+NH4]+	139.09782	142.0
[M+K]+	160.02715	129.3
[M+H-H2O]+	104.06126	115.7
[M+HCOO]-	166.06220	146.1
[M+CH3COO]-	180.07785	171.9
[M+Na-2H]-	142.03866	131.1
[M]+	121.06345	120.4
[M]-	121.06454	120.4

Literature stripe

literature stripe

Patent stripe

patents stripe