CID 23294017

2044712-98-1

Structural Information

Molecular Formula

C₆H₇N₃

SMILES

C1CNC2=NC=NC=C21

InChI

InChI=1S/C6H7N3/c1-2-8-6-5(1)3-7-4-9-6/h3-4H,1-2H2,(H,7,8,9)

InChIKey

PANGDCFLXUDHDI-UHFFFAOYSA-N

Compound name

6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 317
Patents: 121.063995 Da
Monoisotopic Mass: 0.6
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]+	122.07127	122.5
[M+Na]+	144.05321	134.9
[M+NH4]+	139.09782	131.3
[M+K]+	160.02715	130.5
[M-H]-	120.05672	122.9
[M+Na-2H]-	142.03866	128.8
[M]+	121.06345	124.2
[M]-	121.06454	124.2

Literature stripe

literature stripe

Patent stripe

patents stripe