CID 83828454

6-chloro-1,3-dimethyl-1h-pyrazolo[4,3-c]pyridine

Structural Information

Molecular Formula
C8H8ClN3
SMILES
CC1=NN(C2=CC(=NC=C12)Cl)C
InChI
InChI=1S/C8H8ClN3/c1-5-6-4-10-8(9)3-7(6)12(2)11-5/h3-4H,1-2H3
InChIKey
IAWRLBYCYRPWGV-UHFFFAOYSA-N
Compound name
6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

181.04068 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.047956 134.3
[M+Na]+ 204.029898 148.2
[M-H]- 180.033404 135.8
[M+NH4]+ 199.074503 154.8
[M+K]+ 220.003838 143.5
[M+H-H2O]+ 164.037940 127.4
[M+HCOO]- 226.038881 152.5
[M+CH3COO]- 240.054531 148.9
[M+Na-2H]- 202.015346 141.6
[M]+ 181.04013142 139.2
[M]- 181.04122858 139.2
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