CID 196443

Etaden

Structural Information

Molecular Formula

C₇H₁₀N₆O

SMILES

C1=NC(=C2C(=N1)N=C(N2)NCCO)N

InChI

InChI=1S/C7H10N6O/c8-5-4-6(11-3-10-5)13-7(12-4)9-1-2-14/h3,14H,1-2H2,(H4,8,9,10,11,12,13)

InChIKey

CRWIVQWPUFWSCJ-UHFFFAOYSA-N

Compound name

2-[(6-amino-7H-purin-8-yl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 49
Patents: 194.09161 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]+	195.09889	138.3
[M+Na]+	217.08083	148.3
[M-H]-	193.08433	135.7
[M+NH4]+	212.12543	153.4
[M+K]+	233.05477	143.7
[M+H-H2O]+	177.08887	130.1
[M+HCOO]-	239.08981	159.1
[M+CH3COO]-	253.10546	149.9
[M+Na-2H]-	215.06628	146.9
[M]+	194.09106	136.8
[M]-	194.09216	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe