CID 80632609

6-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carbaldehyde

Structural Information

Molecular Formula
C12H13N3O
SMILES
CC(C)C1=NN(C=C1)C2=NC=C(C=C2)C=O
InChI
InChI=1S/C12H13N3O/c1-9(2)11-5-6-15(14-11)12-4-3-10(8-16)7-13-12/h3-9H,1-2H3
InChIKey
HWRMFXYEBDAKSO-UHFFFAOYSA-N
Compound name
6-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.10587 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.11315 148.3
[M+Na]+ 238.09509 161.9
[M+NH4]+ 233.13969 155.5
[M+K]+ 254.06903 157.4
[M-H]- 214.09859 150.1
[M+Na-2H]- 236.08054 155.9
[M]+ 215.10532 150.7
[M]- 215.10642 150.7
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.