CID 219877

2-(4-amino-1h-pyrazolo[3,4-d]pyrimidin-1-yl)ethan-1-ol

Structural Information

Molecular Formula
C7H9N5O
SMILES
C1=NN(C2=NC=NC(=C21)N)CCO
InChI
InChI=1S/C7H9N5O/c8-6-5-3-11-12(1-2-13)7(5)10-4-9-6/h3-4,13H,1-2H2,(H2,8,9,10)
InChIKey
YCGHVLOMTHSSAN-UHFFFAOYSA-N
Compound name
2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

179.0807 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08798 135.8
[M+Na]+ 202.06992 147.1
[M-H]- 178.07342 134.4
[M+NH4]+ 197.11452 152.6
[M+K]+ 218.04386 143.4
[M+H-H2O]+ 162.07796 127.6
[M+HCOO]- 224.07890 157.0
[M+CH3COO]- 238.09455 148.6
[M+Na-2H]- 200.05537 144.1
[M]+ 179.08015 136.7
[M]- 179.08125 136.7
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

patents stripe