CID 160264

2-methyl-5,6-cyclopentapyrimidine

Structural Information

Molecular Formula

C₈H₁₀N₂

SMILES

CC1=NC=C2CCCC2=N1

InChI

InChI=1S/C8H10N2/c1-6-9-5-7-3-2-4-8(7)10-6/h5H,2-4H2,1H3

InChIKey

OGRHLWFQNOLTFY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 35
Patents: 134.0844 Da
Monoisotopic Mass: 1.3
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]+	135.09168	126.4
[M+Na]+	157.07362	139.6
[M+NH4]+	152.11822	136.1
[M+K]+	173.04756	134.3
[M-H]-	133.07712	128.2
[M+Na-2H]-	155.05907	133.0
[M]+	134.08385	128.7
[M]-	134.08495	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe