CID 10889102

2445785-91-9

Structural Information

Molecular Formula

C₇H₉N₃

SMILES

CC1=NC=C2CNCC2=N1

InChI

InChI=1S/C7H9N3/c1-5-9-3-6-2-8-4-7(6)10-5/h3,8H,2,4H2,1H3

InChIKey

RAAFDHOWTMRUEA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 135.07965 Da
Monoisotopic Mass: -0.4
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]+	136.08693	126.9
[M+Na]+	158.06887	139.5
[M+NH4]+	153.11347	135.5
[M+K]+	174.04281	135.0
[M-H]-	134.07237	127.3
[M+Na-2H]-	156.05432	132.6
[M]+	135.07910	128.6
[M]-	135.08020	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe