CID 10954423

157327-51-0

Structural Information

Molecular Formula

C₆H₇N₃

SMILES

C1C2=CN=CN=C2CN1

InChI

InChI=1S/C6H7N3/c1-5-2-8-4-9-6(5)3-7-1/h2,4,7H,1,3H2

InChIKey

NBXIOQTYZWAAEB-UHFFFAOYSA-N

Compound name

6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 263
Patents: 121.063995 Da
Monoisotopic Mass: -0.8
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

No literature data available for this compound.

Patent stripe

patents stripe