CID 232191

26979-06-6

Structural Information

Molecular Formula

C₇H₉N₃

SMILES

C1CC2=C(C1)N=CN=C2N

InChI

InChI=1S/C7H9N3/c8-7-5-2-1-3-6(5)9-4-10-7/h4H,1-3H2,(H2,8,9,10)

InChIKey

KWLUCRCCWCBGDT-UHFFFAOYSA-N

Compound name

6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 24
Patents: 135.07965 Da
Monoisotopic Mass: 0.5
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]+	136.08693	125.0
[M+Na]+	158.06887	133.9
[M-H]-	134.07237	126.6
[M+NH4]+	153.11347	146.6
[M+K]+	174.04281	131.4
[M+H-H2O]+	118.07691	118.1
[M+HCOO]-	180.07785	147.4
[M+CH3COO]-	194.09350	138.8
[M+Na-2H]-	156.05432	132.7
[M]+	135.07910	122.1
[M]-	135.08020	122.1

Literature stripe

literature stripe

Patent stripe

patents stripe