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 147.6
[M+Na]+ 238.09509 156.9
[M-H]- 214.09859 150.8
[M+NH4]+ 233.13969 164.0
[M+K]+ 254.06903 153.6
[M+H-H2O]+ 198.10313 138.7
[M+HCOO]- 260.10407 168.8
[M+CH3COO]- 274.11972 188.4
[M+Na-2H]- 236.08054 151.4
[M]+ 215.10532 149.2
[M]- 215.10642 149.2
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.