CID 129922612

2-bromo-1,1-dimethoxycyclobutane

Structural Information

Molecular Formula
C6H11BrO2
SMILES
COC1(CCC1Br)OC
InChI
InChI=1S/C6H11BrO2/c1-8-6(9-2)4-3-5(6)7/h5H,3-4H2,1-2H3
InChIKey
NUGDZTYCJVPTDS-UHFFFAOYSA-N
Compound name
2-bromo-1,1-dimethoxycyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.99425 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.00153 133.5
[M+Na]+ 216.98347 131.8
[M+NH4]+ 212.02807 136.4
[M+K]+ 232.95741 132.6
[M-H]- 192.98697 131.0
[M+Na-2H]- 214.96892 134.8
[M]+ 193.99370 130.5
[M]- 193.99480 130.5
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