CID 45122224

23662-47-7

Structural Information

Molecular Formula

C₈H₈N₄

SMILES

C1CC1C2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C8H8N4/c9-3-6-4-11-8(5-1-2-5)12-7(6)10/h4-5H,1-2H2,(H2,10,11,12)

InChIKey

IQZSBEYDPXQSNV-UHFFFAOYSA-N

Compound name

4-amino-2-cyclopropylpyrimidine-5-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 160.07489 Da
Monoisotopic Mass: 0.7
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]+	161.08217	137.8
[M+Na]+	183.06411	151.0
[M+NH4]+	178.10871	143.0
[M+K]+	199.03805	143.5
[M-H]-	159.06761	139.7
[M+Na-2H]-	181.04956	144.8
[M]+	160.07434	140.3
[M]-	160.07544	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe