CID 60136750

1-cyclopentyl-4-iodo-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C9H11IN2O2
SMILES
C1CCC(C1)N2C(=C(C=N2)I)C(=O)O
InChI
InChI=1S/C9H11IN2O2/c10-7-5-11-12(8(7)9(13)14)6-3-1-2-4-6/h5-6H,1-4H2,(H,13,14)
InChIKey
OGKGARWZMIOQBC-UHFFFAOYSA-N
Compound name
2-cyclopentyl-4-iodopyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.98654 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.99382 147.5
[M+Na]+ 328.97576 148.0
[M-H]- 304.97926 143.6
[M+NH4]+ 324.02036 161.8
[M+K]+ 344.94970 151.8
[M+H-H2O]+ 288.98380 137.1
[M+HCOO]- 350.98474 162.6
[M+CH3COO]- 365.00039 188.5
[M+Na-2H]- 326.96121 136.3
[M]+ 305.98599 142.7
[M]- 305.98709 142.7
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.