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
1-cyclopentyl-4-iodopyrazole-5-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]+ 290.998876 141.8
[M+Na]+ 312.980818 143.2
[M-H]- 288.984324 139.0
[M+NH4]+ 308.025423 157.6
[M+K]+ 328.954758 146.9
[M+H-H2O]+ 272.988860 131.1
[M+HCOO]- 334.989801 159.2
[M+CH3COO]- 349.005451 188.2
[M+Na-2H]- 310.966266 132.2
[M]+ 289.99105142 138.1
[M]- 289.99214858 138.1
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.