CID 24837254

3,6,7,8-tetrahydro-1,3,5-trimethylcyclopenta(d)pyrazolo(3,4-b)pyridine

Structural Information

Molecular Formula
C12H15N3
SMILES
CC1=C2CCCC2=C3C(=NN(C3=N1)C)C
InChI
InChI=1S/C12H15N3/c1-7-9-5-4-6-10(9)11-8(2)14-15(3)12(11)13-7/h4-6H2,1-3H3
InChIKey
YYSBJUXRZOSODV-UHFFFAOYSA-N
Compound name
3,5,8-trimethyl-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.1266 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.13388 145.7
[M+Na]+ 224.11582 158.3
[M-H]- 200.11932 148.5
[M+NH4]+ 219.16042 167.6
[M+K]+ 240.08976 154.1
[M+H-H2O]+ 184.12386 138.6
[M+HCOO]- 246.12480 166.6
[M+CH3COO]- 260.14045 159.6
[M+Na-2H]- 222.10127 149.5
[M]+ 201.12605 149.0
[M]- 201.12715 149.0
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.