CID 137963752

2166529-84-4

Structural Information

Molecular Formula
C8H9BrN2O
SMILES
CC(=O)C1(CC1)N2C=C(C=N2)Br
InChI
InChI=1S/C8H9BrN2O/c1-6(12)8(2-3-8)11-5-7(9)4-10-11/h4-5H,2-3H2,1H3
InChIKey
ZHYXQEHNSOBZPZ-UHFFFAOYSA-N
Compound name
1-[1-(4-bromopyrazol-1-yl)cyclopropyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.98982 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.99710 140.6
[M+Na]+ 250.97904 144.7
[M+NH4]+ 246.02364 146.7
[M+K]+ 266.95298 146.4
[M-H]- 226.98254 146.5
[M+Na-2H]- 248.96449 147.2
[M]+ 227.98927 142.8
[M]- 227.99037 142.8
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.