CID 115038044

5-bromo-1-cyclopropyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C7H7BrN2O2
SMILES
C1CC1N2C(=C(C=N2)C(=O)O)Br
InChI
InChI=1S/C7H7BrN2O2/c8-6-5(7(11)12)3-9-10(6)4-1-2-4/h3-4H,1-2H2,(H,11,12)
InChIKey
IIABBBCOMAPKLR-UHFFFAOYSA-N
Compound name
5-bromo-1-cyclopropylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.96909 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.976366 144.0
[M+Na]+ 252.958308 158.6
[M-H]- 228.961814 150.9
[M+NH4]+ 248.002913 159.9
[M+K]+ 268.932248 146.5
[M+H-H2O]+ 212.966350 143.1
[M+HCOO]- 274.967291 163.7
[M+CH3COO]- 288.982941 186.6
[M+Na-2H]- 250.943756 149.0
[M]+ 229.96854142 164.1
[M]- 229.96963858 164.1
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.