CID 90815843

36274-34-7

Structural Information

Molecular Formula

C₈H₁₀N₂S

SMILES

CSC1=NC=C2CCCC2=N1

InChI

InChI=1S/C8H10N2S/c1-11-8-9-5-6-3-2-4-7(6)10-8/h5H,2-4H2,1H3

InChIKey

IFQZZMKLFMUHRW-UHFFFAOYSA-N

Compound name

2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 166.05647 Da
Monoisotopic Mass: 1.7
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]+	167.06375	133.1
[M+Na]+	189.04569	145.8
[M+NH4]+	184.09029	143.2
[M+K]+	205.01963	138.5
[M-H]-	165.04919	135.2
[M+Na-2H]-	187.03114	138.8
[M]+	166.05592	136.0
[M]-	166.05702	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe