CID 131519345

1-(2-methoxyethyl)-1h,4h,5h,6h,7h-pyrazolo[4,3-c]pyridine

Structural Information

Molecular Formula
C9H15N3O
SMILES
COCCN1C2=C(CNCC2)C=N1
InChI
InChI=1S/C9H15N3O/c1-13-5-4-12-9-2-3-10-6-8(9)7-11-12/h7,10H,2-6H2,1H3
InChIKey
GQUXEPBUPCLZTC-UHFFFAOYSA-N
Compound name
1-(2-methoxyethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.1215 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.12878 140.8
[M+Na]+ 204.11072 148.1
[M-H]- 180.11422 139.3
[M+NH4]+ 199.15532 158.9
[M+K]+ 220.08466 145.3
[M+H-H2O]+ 164.11876 132.8
[M+HCOO]- 226.11970 157.9
[M+CH3COO]- 240.13535 178.2
[M+Na-2H]- 202.09617 146.1
[M]+ 181.12095 138.9
[M]- 181.12205 138.9
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.