CID 135833149

2138284-53-2

Structural Information

Molecular Formula
C8H14N4
SMILES
CC1=NN(C2=C1CC(CN2)N)C
InChI
InChI=1S/C8H14N4/c1-5-7-3-6(9)4-10-8(7)12(2)11-5/h6,10H,3-4,9H2,1-2H3
InChIKey
KAIJJBGBXLAITA-UHFFFAOYSA-N
Compound name
1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-b]pyridin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.12184 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.12912 138.1
[M+Na]+ 189.11106 147.0
[M-H]- 165.11456 137.1
[M+NH4]+ 184.15566 156.9
[M+K]+ 205.08500 143.4
[M+H-H2O]+ 149.11910 130.8
[M+HCOO]- 211.12004 155.7
[M+CH3COO]- 225.13569 150.0
[M+Na-2H]- 187.09651 141.9
[M]+ 166.12129 133.5
[M]- 166.12239 133.5
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.