CID 130553981

2-bromo-1-(1-ethylcyclopropyl)ethan-1-one

Structural Information

Molecular Formula
C7H11BrO
SMILES
CCC1(CC1)C(=O)CBr
InChI
InChI=1S/C7H11BrO/c1-2-7(3-4-7)6(9)5-8/h2-5H2,1H3
InChIKey
YGLKDXBPKBILJL-UHFFFAOYSA-N
Compound name
2-bromo-1-(1-ethylcyclopropyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

189.99933 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00661 127.5
[M+Na]+ 212.98855 131.0
[M+NH4]+ 208.03315 134.3
[M+K]+ 228.96249 131.3
[M-H]- 188.99205 133.2
[M+Na-2H]- 210.97400 133.8
[M]+ 189.99878 129.5
[M]- 189.99988 129.5
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

patents stripe