CID 132586224

1-cyclopentyl-4-iodo-1h-pyrazole-5-carbaldehyde

Structural Information

Molecular Formula
C9H11IN2O
SMILES
C1CCC(C1)N2C(=C(C=N2)I)C=O
InChI
InChI=1S/C9H11IN2O/c10-8-5-11-12(9(8)6-13)7-3-1-2-4-7/h5-7H,1-4H2
InChIKey
CEBDTEWPJHEBAX-UHFFFAOYSA-N
Compound name
2-cyclopentyl-4-iodopyrazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.9916 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.99888 148.4
[M+Na]+ 312.98082 151.4
[M+NH4]+ 308.02542 151.9
[M+K]+ 328.95476 152.2
[M-H]- 288.98432 143.7
[M+Na-2H]- 310.96627 141.0
[M]+ 289.99105 146.1
[M]- 289.99215 146.1
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.