CID 137243305

1928735-22-1

Structural Information

Molecular Formula
C8H11N5O
SMILES
CNCC1=NC2=C(C=NN2C)C(=O)N1
InChI
InChI=1S/C8H11N5O/c1-9-4-6-11-7-5(8(14)12-6)3-10-13(7)2/h3,9H,4H2,1-2H3,(H,11,12,14)
InChIKey
SCJLOUUFNPOCAP-UHFFFAOYSA-N
Compound name
1-methyl-6-(methylaminomethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.09636 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.10364 140.5
[M+Na]+ 216.08558 152.6
[M-H]- 192.08908 139.8
[M+NH4]+ 211.13018 157.3
[M+K]+ 232.05952 148.3
[M+H-H2O]+ 176.09362 132.5
[M+HCOO]- 238.09456 162.1
[M+CH3COO]- 252.11021 153.4
[M+Na-2H]- 214.07103 148.4
[M]+ 193.09581 142.5
[M]- 193.09691 142.5
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.