CID 45080805

2-bromo-1-cyclopropylpropan-1-one

Structural Information

Molecular Formula
C6H9BrO
SMILES
CC(C(=O)C1CC1)Br
InChI
InChI=1S/C6H9BrO/c1-4(7)6(8)5-2-3-5/h4-5H,2-3H2,1H3
InChIKey
NPNNSQQYZVWPMG-UHFFFAOYSA-N
Compound name
2-bromo-1-cyclopropylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

175.98367 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.99095 131.3
[M+Na]+ 198.97289 143.8
[M-H]- 174.97639 138.6
[M+NH4]+ 194.01749 150.4
[M+K]+ 214.94683 133.6
[M+H-H2O]+ 158.98093 131.2
[M+HCOO]- 220.98187 151.7
[M+CH3COO]- 234.99752 182.6
[M+Na-2H]- 196.95834 137.6
[M]+ 175.98312 150.7
[M]- 175.98422 150.7
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