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]+ 179.006606 121.4
[M+Na]+ 200.988548 131.5
[M-H]- 176.992054 127.9
[M+NH4]+ 196.033153 141.0
[M+K]+ 216.962488 125.3
[M+H-H2O]+ 160.996590 119.3
[M+HCOO]- 222.997531 141.8
[M+CH3COO]- 237.013181 181.2
[M+Na-2H]- 198.973996 131.2
[M]+ 177.99878142 147.9
[M]- 177.99987858 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.