CID 11845421

307313-06-0

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

C1CCN2C(=CC(=N2)C=O)C1

InChI

InChI=1S/C8H10N2O/c11-6-7-5-8-3-1-2-4-10(8)9-7/h5-6H,1-4H2

InChIKey

XCQQWVWOKJBFCQ-UHFFFAOYSA-N

Compound name

4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 150.07932 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	151.086596	129.9
[M+Na]+	173.068538	138.3
[M-H]-	149.072044	131.5
[M+NH4]+	168.113143	151.3
[M+K]+	189.042478	136.2
[M+H-H2O]+	133.076580	123.0
[M+HCOO]-	195.077521	150.4
[M+CH3COO]-	209.093171	174.1
[M+Na-2H]-	171.053986	136.4
[M]+	150.07877142	128.2
[M]-	150.07986858	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe