CID 131082594

1935387-65-7

Structural Information

Molecular Formula
C7H7BrN2O2
SMILES
C1CC1(C(=O)O)N2C=C(C=N2)Br
InChI
InChI=1S/C7H7BrN2O2/c8-5-3-9-10(4-5)7(1-2-7)6(11)12/h3-4H,1-2H2,(H,11,12)
InChIKey
LHKYHZMGLXYIEV-UHFFFAOYSA-N
Compound name
1-(4-bromopyrazol-1-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.96909 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.97637 143.2
[M+Na]+ 252.95831 157.6
[M-H]- 228.96181 150.1
[M+NH4]+ 248.00291 160.6
[M+K]+ 268.93225 146.5
[M+H-H2O]+ 212.96635 143.4
[M+HCOO]- 274.96729 162.7
[M+CH3COO]- 288.98294 185.2
[M+Na-2H]- 250.94376 149.9
[M]+ 229.96854 163.5
[M]- 229.96964 163.5
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.