CID 15565409

3-(bromomethyl)cyclopentanone

Structural Information

Molecular Formula
C6H9BrO
SMILES
C1CC(=O)CC1CBr
InChI
InChI=1S/C6H9BrO/c7-4-5-1-2-6(8)3-5/h5H,1-4H2
InChIKey
LJSZKWGYJBUAKF-UHFFFAOYSA-N
Compound name
3-(bromomethyl)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.98367 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.99095 132.4
[M+Na]+ 198.97289 143.6
[M-H]- 174.97639 138.5
[M+NH4]+ 194.01749 157.8
[M+K]+ 214.94683 133.9
[M+H-H2O]+ 158.98093 133.5
[M+HCOO]- 220.98187 153.6
[M+CH3COO]- 234.99752 176.5
[M+Na-2H]- 196.95834 138.1
[M]+ 175.98312 148.7
[M]- 175.98422 148.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.