CID 135448994

7-hydroxyguanine

Structural Information

Molecular Formula

C₅H₅N₅O₂

SMILES

C1=NC2=C(N1O)C(=O)NC(=N2)N

InChI

InChI=1S/C5H5N5O2/c6-5-8-3-2(4(11)9-5)10(12)1-7-3/h1,12H,(H3,6,8,9,11)

InChIKey

PIIRLHSJVLBMJN-UHFFFAOYSA-N

Compound name

2-amino-7-hydroxy-1H-purin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 34
Patents: 167.04433 Da
Monoisotopic Mass: -0.5
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]+	168.05161	130.6
[M+Na]+	190.03355	143.5
[M-H]-	166.03705	128.7
[M+NH4]+	185.07815	147.4
[M+K]+	206.00749	139.2
[M+H-H2O]+	150.04159	123.4
[M+HCOO]-	212.04253	151.3
[M+CH3COO]-	226.05818	143.8
[M+Na-2H]-	188.01900	138.6
[M]+	167.04378	130.2
[M]-	167.04488	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe