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]+ 230.97637 144.0
[M+Na]+ 252.95831 158.6
[M-H]- 228.96181 150.9
[M+NH4]+ 248.00291 159.9
[M+K]+ 268.93225 146.5
[M+H-H2O]+ 212.96635 143.1
[M+HCOO]- 274.96729 163.7
[M+CH3COO]- 288.98294 186.6
[M+Na-2H]- 250.94376 149.0
[M]+ 229.96854 164.1
[M]- 229.96964 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.