CID 59802575

5h-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula

C₇H₅N₃O₂

SMILES

C1=CNC2=C1N=CN=C2C(=O)O

InChI

InChI=1S/C7H5N3O2/c11-7(12)6-5-4(1-2-8-5)9-3-10-6/h1-3,8H,(H,11,12)

InChIKey

DMVIOVBHUPSACZ-UHFFFAOYSA-N

Compound name

5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 163.03818 Da
Monoisotopic Mass: 0.3
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]+	164.04546	130.3
[M+Na]+	186.02740	142.9
[M+NH4]+	181.07200	137.1
[M+K]+	202.00134	140.2
[M-H]-	162.03090	129.2
[M+Na-2H]-	184.01285	135.9
[M]+	163.03763	131.5
[M]-	163.03873	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe