CID 75465061

2173996-85-3

Structural Information

Molecular Formula
C8H13N3
SMILES
CC1=NN(C2=C1CCNC2)C
InChI
InChI=1S/C8H13N3/c1-6-7-3-4-9-5-8(7)11(2)10-6/h9H,3-5H2,1-2H3
InChIKey
HNBHVZUDKSBQAR-UHFFFAOYSA-N
Compound name
1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

151.11095 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.11823 133.1
[M+Na]+ 174.10017 144.9
[M+NH4]+ 169.14477 141.5
[M+K]+ 190.07411 140.6
[M-H]- 150.10367 133.4
[M+Na-2H]- 172.08562 137.4
[M]+ 151.11040 134.7
[M]- 151.11150 134.7
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

patents stripe