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[4,5-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]+ 182.128776 140.8
[M+Na]+ 204.110718 148.1
[M-H]- 180.114224 139.3
[M+NH4]+ 199.155323 158.9
[M+K]+ 220.084658 145.3
[M+H-H2O]+ 164.118760 132.8
[M+HCOO]- 226.119701 157.9
[M+CH3COO]- 240.135351 178.2
[M+Na-2H]- 202.096166 146.1
[M]+ 181.12095142 138.9
[M]- 181.12204858 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.