CID 91192816

5-(1-methyl-1h-pyrazol-5-yl)pyridine-3-carbaldehyde

Structural Information

Molecular Formula
C10H9N3O
SMILES
CN1C(=CC=N1)C2=CN=CC(=C2)C=O
InChI
InChI=1S/C10H9N3O/c1-13-10(2-3-12-13)9-4-8(7-14)5-11-6-9/h2-7H,1H3
InChIKey
RPDLQLJKWNFXKQ-UHFFFAOYSA-N
Compound name
5-(2-methylpyrazol-3-yl)pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

187.07455 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.08183 138.3
[M+Na]+ 210.06377 148.9
[M-H]- 186.06727 141.8
[M+NH4]+ 205.10837 155.9
[M+K]+ 226.03771 145.6
[M+H-H2O]+ 170.07181 129.7
[M+HCOO]- 232.07275 161.3
[M+CH3COO]- 246.08840 181.6
[M+Na-2H]- 208.04922 144.4
[M]+ 187.07400 139.8
[M]- 187.07510 139.8
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