CID 2757508

128564-56-7

Structural Information

Molecular Formula
C7H9ClN2O
SMILES
CCC1=NN(C(=C1C=O)Cl)C
InChI
InChI=1S/C7H9ClN2O/c1-3-6-5(4-11)7(8)10(2)9-6/h4H,3H2,1-2H3
InChIKey
LUCGECGIPOLQDJ-UHFFFAOYSA-N
Compound name
5-chloro-3-ethyl-1-methylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

172.04034 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.047616 132.6
[M+Na]+ 195.029558 144.5
[M-H]- 171.033064 134.2
[M+NH4]+ 190.074163 153.7
[M+K]+ 211.003498 141.2
[M+H-H2O]+ 155.037600 126.9
[M+HCOO]- 217.038541 151.6
[M+CH3COO]- 231.054191 179.2
[M+Na-2H]- 193.015006 136.8
[M]+ 172.03979142 137.0
[M]- 172.04088858 137.0
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