CID 147421650

1-bromo-3-ethylcyclobutane

Structural Information

Molecular Formula
C6H11Br
SMILES
CCC1CC(C1)Br
InChI
InChI=1S/C6H11Br/c1-2-5-3-6(7)4-5/h5-6H,2-4H2,1H3
InChIKey
TXXKUXGTTHIKLV-UHFFFAOYSA-N
Compound name
1-bromo-3-ethylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.00441 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.011686 118.9
[M+Na]+ 184.993628 129.1
[M-H]- 160.997134 125.3
[M+NH4]+ 180.038233 137.5
[M+K]+ 200.967568 122.5
[M+H-H2O]+ 145.001670 115.8
[M+HCOO]- 207.002611 139.0
[M+CH3COO]- 221.018261 180.8
[M+Na-2H]- 182.979076 127.0
[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

No patent data available for this compound.