CID 83908379

3-tert-butyl-4-chloro-1-methyl-1h-pyrazole-5-carbaldehyde

Structural Information

Molecular Formula
C9H13ClN2O
SMILES
CC(C)(C)C1=NN(C(=C1Cl)C=O)C
InChI
InChI=1S/C9H13ClN2O/c1-9(2,3)8-7(10)6(5-13)12(4)11-8/h5H,1-4H3
InChIKey
GPWXWOXKVMQVLG-UHFFFAOYSA-N
Compound name
5-tert-butyl-4-chloro-2-methylpyrazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

200.07164 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.07892 143.1
[M+Na]+ 223.06086 155.7
[M+NH4]+ 218.10546 150.5
[M+K]+ 239.03480 151.7
[M-H]- 199.06436 142.6
[M+Na-2H]- 221.04631 147.7
[M]+ 200.07109 144.9
[M]- 200.07219 144.9
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