CID 60136754

2-(3-cyclopropyl-4-iodo-1h-pyrazol-1-yl)propanoic acid

Structural Information

Molecular Formula
C9H11IN2O2
SMILES
CC(C(=O)O)N1C=C(C(=N1)C2CC2)I
InChI
InChI=1S/C9H11IN2O2/c1-5(9(13)14)12-4-7(10)8(11-12)6-2-3-6/h4-6H,2-3H2,1H3,(H,13,14)
InChIKey
CEFCWOSFDITBHG-UHFFFAOYSA-N
Compound name
2-(3-cyclopropyl-4-iodopyrazol-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.98654 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.99382 150.4
[M+Na]+ 328.97576 153.6
[M-H]- 304.97926 147.8
[M+NH4]+ 324.02036 159.1
[M+K]+ 344.94970 155.4
[M+H-H2O]+ 288.98380 140.1
[M+HCOO]- 350.98474 165.7
[M+CH3COO]- 365.00039 193.9
[M+Na-2H]- 326.96121 140.8
[M]+ 305.98599 150.5
[M]- 305.98709 150.5
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.