CID 135403630

Carbovir

Structural Information

Molecular Formula

C₁₁H₁₃N₅O₂

SMILES

C1C(C=CC1N2C=NC3=C2N=C(NC3=O)N)CO

InChI

InChI=1S/C11H13N5O2/c12-11-14-9-8(10(18)15-11)13-5-16(9)7-2-1-6(3-7)4-17/h1-2,5-7,17H,3-4H2,(H3,12,14,15,18)

InChIKey

XSSYCIGJYCVRRK-UHFFFAOYSA-N

Compound name

2-amino-9-[4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 109
References: 2818
Patents: 247.10692 Da
Monoisotopic Mass: -0.6
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]+	248.11420	153.0
[M+Na]+	270.09614	164.0
[M-H]-	246.09964	154.4
[M+NH4]+	265.14074	168.1
[M+K]+	286.07008	158.6
[M+H-H2O]+	230.10418	144.8
[M+HCOO]-	292.10512	172.5
[M+CH3COO]-	306.12077	164.7
[M+Na-2H]-	268.08159	155.8
[M]+	247.10637	152.2
[M]-	247.10747	152.2

Literature stripe

literature stripe

Patent stripe

patents stripe