CID 66288813

1509338-85-5

Structural Information

Molecular Formula

C₉H₉ClN₂O₂

SMILES

COC(=O)C1=NC2=C(CCC2)C(=N1)Cl

InChI

InChI=1S/C9H9ClN2O2/c1-14-9(13)8-11-6-4-2-3-5(6)7(10)12-8/h2-4H2,1H3

InChIKey

IQANMKDYMZCHOG-UHFFFAOYSA-N

Compound name

methyl 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 212.03525 Da
Monoisotopic Mass: 2.0
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]+	213.042526	142.4
[M+Na]+	235.024468	152.7
[M-H]-	211.027974	144.4
[M+NH4]+	230.069073	162.4
[M+K]+	250.998408	149.3
[M+H-H2O]+	195.032510	136.0
[M+HCOO]-	257.033451	158.5
[M+CH3COO]-	271.049101	183.9
[M+Na-2H]-	233.009916	147.0
[M]+	212.03470142	145.5
[M]-	212.03579858	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe