CID 15269873

64127-15-7

Structural Information

Molecular Formula

C₇H₇ClN₄O

SMILES

C1=NN(C2=C1C(=NC=N2)Cl)CCO

InChI

InChI=1S/C7H7ClN4O/c8-6-5-3-11-12(1-2-13)7(5)10-4-9-6/h3-4,13H,1-2H2

InChIKey

CKGXWXQNFGKLIM-UHFFFAOYSA-N

Compound name

2-(4-chloropyrazolo[3,4-d]pyrimidin-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 198.03084 Da
Monoisotopic Mass: 0.0
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]+	199.03812	137.3
[M+Na]+	221.02006	150.1
[M-H]-	197.02356	135.9
[M+NH4]+	216.06466	154.6
[M+K]+	236.99400	145.2
[M+H-H2O]+	181.02810	129.5
[M+HCOO]-	243.02904	153.1
[M+CH3COO]-	257.04469	150.3
[M+Na-2H]-	219.00551	145.4
[M]+	198.03029	141.5
[M]-	198.03139	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe