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 144.7
[M+Na]+ 250.97904 159.3
[M-H]- 226.98254 152.7
[M+NH4]+ 246.02364 162.9
[M+K]+ 266.95298 148.6
[M+H-H2O]+ 210.98708 144.6
[M+HCOO]- 272.98802 165.1
[M+CH3COO]- 287.00367 188.4
[M+Na-2H]- 248.96449 151.3
[M]+ 227.98927 165.6
[M]- 227.99037 165.6
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.