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

145
Patents

162.00441 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.01169 119.1
[M+Na]+ 184.99363 129.3
[M-H]- 160.99713 125.7
[M+NH4]+ 180.03823 139.3
[M+K]+ 200.96757 122.7
[M+H-H2O]+ 145.00167 117.2
[M+HCOO]- 207.00261 139.3
[M+CH3COO]- 221.01826 179.5
[M+Na-2H]- 182.97908 128.8
[M]+ 162.00386 144.2
[M]- 162.00496 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