CID 21593477

1-(bromomethyl)-1-methoxycyclobutane

Structural Information

Molecular Formula
C6H11BrO
SMILES
COC1(CCC1)CBr
InChI
InChI=1S/C6H11BrO/c1-8-6(5-7)3-2-4-6/h2-5H2,1H3
InChIKey
FCQKZXITDZGVOL-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-methoxycyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.99933 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.00661 121.4
[M+Na]+ 200.98855 131.5
[M-H]- 176.99205 127.9
[M+NH4]+ 196.03315 141.0
[M+K]+ 216.96249 125.3
[M+H-H2O]+ 160.99659 119.3
[M+HCOO]- 222.99753 141.8
[M+CH3COO]- 237.01318 181.2
[M+Na-2H]- 198.97400 131.2
[M]+ 177.99878 147.9
[M]- 177.99988 147.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.