CID 452401

69895-62-1

Structural Information

Molecular Formula

C₁₀H₁₅N₅O₂

SMILES

C1=NC(=C2C(=N1)N(C=N2)CCC(CCO)O)N

InChI

InChI=1S/C10H15N5O2/c11-9-8-10(13-5-12-9)15(6-14-8)3-1-7(17)2-4-16/h5-7,16-17H,1-4H2,(H2,11,12,13)

InChIKey

UTJYYNFDADPPHB-UHFFFAOYSA-N

Compound name

5-(6-aminopurin-9-yl)pentane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 5
Patents: 237.12257 Da
Monoisotopic Mass: -0.7
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]+	238.12985	152.5
[M+Na]+	260.11179	161.5
[M-H]-	236.11529	149.4
[M+NH4]+	255.15639	166.0
[M+K]+	276.08573	157.4
[M+H-H2O]+	220.11983	144.0
[M+HCOO]-	282.12077	170.3
[M+CH3COO]-	296.13642	189.4
[M+Na-2H]-	258.09724	157.7
[M]+	237.12202	153.4
[M]-	237.12312	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe