CID 57548287

1-(bromomethyl)-1-methylcyclobutane

Structural Information

Molecular Formula
C6H11Br
SMILES
CC1(CCC1)CBr
InChI
InChI=1S/C6H11Br/c1-6(5-7)3-2-4-6/h2-5H2,1H3
InChIKey
BHJMIRNMEIFCGF-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-methylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

162.00441 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.011686 119.1
[M+Na]+ 184.993628 129.3
[M-H]- 160.997134 125.7
[M+NH4]+ 180.038233 139.3
[M+K]+ 200.967568 122.7
[M+H-H2O]+ 145.001670 117.2
[M+HCOO]- 207.002611 139.3
[M+CH3COO]- 221.018261 179.5
[M+Na-2H]- 182.979076 128.8
[M]+ 162.00386142 144.2
[M]- 162.00495858 144.2
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