CID 45080221

6-methyl-5h-pyrrolo[3,2-d]pyrimidine

Structural Information

Molecular Formula

C₇H₇N₃

SMILES

CC1=CC2=NC=NC=C2N1

InChI

InChI=1S/C7H7N3/c1-5-2-6-7(10-5)3-8-4-9-6/h2-4,10H,1H3

InChIKey

VGPUMURDABAISZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 133.064 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]+	134.07128	123.8
[M+Na]+	156.05322	138.2
[M+NH4]+	151.09782	132.5
[M+K]+	172.02716	133.4
[M-H]-	132.05672	124.6
[M+Na-2H]-	154.03867	131.4
[M]+	133.06345	126.0
[M]-	133.06455	126.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe