CID 54032800

(2-bromoethyl)cyclobutane

Structural Information

Molecular Formula
C6H11Br
SMILES
C1CC(C1)CCBr
InChI
InChI=1S/C6H11Br/c7-5-4-6-2-1-3-6/h6H,1-5H2
InChIKey
LGUPKKDAPJQUOD-UHFFFAOYSA-N
Compound name
2-bromoethylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

162.00441 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.011686 119.2
[M+Na]+ 184.993628 128.6
[M-H]- 160.997134 125.3
[M+NH4]+ 180.038233 137.5
[M+K]+ 200.967568 122.0
[M+H-H2O]+ 145.001670 115.9
[M+HCOO]- 207.002611 139.3
[M+CH3COO]- 221.018261 179.9
[M+Na-2H]- 182.979076 128.0
[M]+ 162.00386142 143.8
[M]- 162.00495858 143.8
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