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

literature stripe

Patent stripe

patents stripe