CID 4163635

99988-17-7

Structural Information

Molecular Formula

C₁₁H₁₅N₅

SMILES

C1CCC(CC1)NC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C11H15N5/c12-6-8-7-14-11(16-10(8)13)15-9-4-2-1-3-5-9/h7,9H,1-5H2,(H3,13,14,15,16)

InChIKey

FXLLLSVOPDPLCX-UHFFFAOYSA-N

Compound name

4-amino-2-(cyclohexylamino)pyrimidine-5-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 217.13275 Da
Monoisotopic Mass: 2.3
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]+	218.140026	148.5
[M+Na]+	240.121968	155.4
[M-H]-	216.125474	150.0
[M+NH4]+	235.166573	161.2
[M+K]+	256.095908	151.0
[M+H-H2O]+	200.130010	133.0
[M+HCOO]-	262.130951	164.6
[M+CH3COO]-	276.146601	157.5
[M+Na-2H]-	238.107416	153.1
[M]+	217.13220142	136.9
[M]-	217.13329858	136.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.