CID 129626366

3,6,7,8-tetrahydro-1,3-dimethylcyclopenta(d)pyrazolo(3,4-b)pyridine hydrochloride

Structural Information

Molecular Formula
C11H13N3
SMILES
CC1=NN(C2=C1C=C3CCCC3=N2)C
InChI
InChI=1S/C11H13N3/c1-7-9-6-8-4-3-5-10(8)12-11(9)14(2)13-7/h6H,3-5H2,1-2H3
InChIKey
VCFSHVCVVYSGRJ-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.11095 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.11823 140.7
[M+Na]+ 210.10017 152.9
[M-H]- 186.10367 143.4
[M+NH4]+ 205.14477 162.9
[M+K]+ 226.07411 149.0
[M+H-H2O]+ 170.10821 133.5
[M+HCOO]- 232.10915 162.0
[M+CH3COO]- 246.12480 154.8
[M+Na-2H]- 208.08562 145.8
[M]+ 187.11040 143.3
[M]- 187.11150 143.3
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.