CID 14435009

126571-48-0

Structural Information

Molecular Formula
C9H12N2O
SMILES
CC(=O)C1=C2CCCCN2N=C1
InChI
InChI=1S/C9H12N2O/c1-7(12)8-6-10-11-5-3-2-4-9(8)11/h6H,2-5H2,1H3
InChIKey
PMTKHIBVGPJZPL-UHFFFAOYSA-N
Compound name
1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

164.09496 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.102236 135.0
[M+Na]+ 187.084178 142.6
[M-H]- 163.087684 136.5
[M+NH4]+ 182.128783 155.7
[M+K]+ 203.058118 140.7
[M+H-H2O]+ 147.092220 128.0
[M+HCOO]- 209.093161 154.1
[M+CH3COO]- 223.108811 177.9
[M+Na-2H]- 185.069626 139.7
[M]+ 164.09441142 133.0
[M]- 164.09550858 133.0
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