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]+ 216.14952 147.3
[M+Na]+ 238.13146 156.8
[M-H]- 214.13496 150.7
[M+NH4]+ 233.17606 165.4
[M+K]+ 254.10540 155.4
[M+H-H2O]+ 198.13950 139.2
[M+HCOO]- 260.14044 165.3
[M+CH3COO]- 274.15609 159.5
[M+Na-2H]- 236.11691 153.0
[M]+ 215.14169 145.3
[M]- 215.14279 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.