CID 146049168

2411248-03-6

Structural Information

Molecular Formula
C8H9ClN4
SMILES
CN1C2=NC(=C(C=C2C=N1)CN)Cl
InChI
InChI=1S/C8H9ClN4/c1-13-8-6(4-11-13)2-5(3-10)7(9)12-8/h2,4H,3,10H2,1H3
InChIKey
KVCKQUQFLHUDHU-UHFFFAOYSA-N
Compound name
(6-chloro-1-methylpyrazolo[3,4-b]pyridin-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.05157 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05885 139.3
[M+Na]+ 219.04079 152.3
[M-H]- 195.04429 140.3
[M+NH4]+ 214.08539 158.6
[M+K]+ 235.01473 147.1
[M+H-H2O]+ 179.04883 132.1
[M+HCOO]- 241.04977 157.9
[M+CH3COO]- 255.06542 153.0
[M+Na-2H]- 217.02624 146.1
[M]+ 196.05102 142.6
[M]- 196.05212 142.6
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.