CID 10511407

217657-66-4

Structural Information

Molecular Formula
C9H7N3O
SMILES
C1=CC(=NC(=C1)N2C=CC=N2)C=O
InChI
InChI=1S/C9H7N3O/c13-7-8-3-1-4-9(11-8)12-6-2-5-10-12/h1-7H
InChIKey
BSBJWZBKEYTLDC-UHFFFAOYSA-N
Compound name
6-pyrazol-1-ylpyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

173.05891 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.066186 133.7
[M+Na]+ 196.048128 143.7
[M-H]- 172.051634 136.9
[M+NH4]+ 191.092733 151.5
[M+K]+ 212.022068 140.7
[M+H-H2O]+ 156.056170 125.0
[M+HCOO]- 218.057111 157.0
[M+CH3COO]- 232.072761 147.4
[M+Na-2H]- 194.033576 141.1
[M]+ 173.05836142 134.4
[M]- 173.05945858 134.4
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