CID 516156

122949-68-2

Structural Information

Molecular Formula
C9H10N6O2
SMILES
C1=NC(=C2C(=NN(C2=N1)COCCO)C#N)N
InChI
InChI=1S/C9H10N6O2/c10-3-6-7-8(11)12-4-13-9(7)15(14-6)5-17-2-1-16/h4,16H,1-2,5H2,(H2,11,12,13)
InChIKey
SIKQODOYOJZCFR-UHFFFAOYSA-N
Compound name
4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

234.08652 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09380 145.9
[M+Na]+ 257.07574 157.2
[M-H]- 233.07924 142.9
[M+NH4]+ 252.12034 158.1
[M+K]+ 273.04968 153.5
[M+H-H2O]+ 217.08378 130.0
[M+HCOO]- 279.08472 162.4
[M+CH3COO]- 293.10037 201.6
[M+Na-2H]- 255.06119 151.7
[M]+ 234.08597 143.1
[M]- 234.08707 143.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.