CID 65439111

1-bromo-3-ethoxycyclobutane

Structural Information

Molecular Formula
C6H11BrO
SMILES
CCOC1CC(C1)Br
InChI
InChI=1S/C6H11BrO/c1-2-8-6-3-5(7)4-6/h5-6H,2-4H2,1H3
InChIKey
YVGAMOVMFISILV-UHFFFAOYSA-N
Compound name
1-bromo-3-ethoxycyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

177.99933 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.00661 121.2
[M+Na]+ 200.98855 131.3
[M-H]- 176.99205 127.6
[M+NH4]+ 196.03315 139.1
[M+K]+ 216.96249 125.0
[M+H-H2O]+ 160.99659 117.9
[M+HCOO]- 222.99753 141.5
[M+CH3COO]- 237.01318 182.5
[M+Na-2H]- 198.97400 129.3
[M]+ 177.99878 147.5
[M]- 177.99988 147.5
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

patents stripe