CID 129924151

1379194-44-1

Structural Information

Molecular Formula
C6H9BrO
SMILES
C1C(CC1=O)CCBr
InChI
InChI=1S/C6H9BrO/c7-2-1-5-3-6(8)4-5/h5H,1-4H2
InChIKey
SORSBVQKLCJNDA-UHFFFAOYSA-N
Compound name
3-(2-bromoethyl)cyclobutan-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 119.8
[M+Na]+ 198.97289 130.1
[M-H]- 174.97639 126.1
[M+NH4]+ 194.01749 137.6
[M+K]+ 214.94683 123.3
[M+H-H2O]+ 158.98093 116.5
[M+HCOO]- 220.98187 140.2
[M+CH3COO]- 234.99752 181.7
[M+Na-2H]- 196.95834 127.9
[M]+ 175.98312 145.4
[M]- 175.98422 145.4
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.