CID 24836966

3,6,7,8,9,10-hexahydro-1,3-dimethylcyclohepta(d)pyrazolo(3,4-b)pyridine hydrochloride

Structural Information

Molecular Formula
C13H17N3
SMILES
CC1=NN(C2=NC=C3CCCCCC3=C12)C
InChI
InChI=1S/C13H17N3/c1-9-12-11-7-5-3-4-6-10(11)8-14-13(12)16(2)15-9/h8H,3-7H2,1-2H3
InChIKey
ZABCZXBINUGXDO-UHFFFAOYSA-N
Compound name
3,5-dimethyl-4,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1,3,6,8-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.14224 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.149516 147.3
[M+Na]+ 238.131458 156.8
[M-H]- 214.134964 150.7
[M+NH4]+ 233.176063 165.4
[M+K]+ 254.105398 155.4
[M+H-H2O]+ 198.139500 139.2
[M+HCOO]- 260.140441 165.3
[M+CH3COO]- 274.156091 159.5
[M+Na-2H]- 236.116906 153.0
[M]+ 215.14169142 145.3
[M]- 215.14278858 145.3
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.