CID 66344294

1-bromo-3-propoxycyclobutane

Structural Information

Molecular Formula
C7H13BrO
SMILES
CCCOC1CC(C1)Br
InChI
InChI=1S/C7H13BrO/c1-2-3-9-7-4-6(8)5-7/h6-7H,2-5H2,1H3
InChIKey
UQKJKBCNRWXFLJ-UHFFFAOYSA-N
Compound name
1-bromo-3-propoxycyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

192.01498 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.022256 126.0
[M+Na]+ 215.004198 135.6
[M-H]- 191.007704 132.1
[M+NH4]+ 210.048803 143.3
[M+K]+ 230.978138 129.1
[M+H-H2O]+ 175.012240 122.4
[M+HCOO]- 237.013181 145.9
[M+CH3COO]- 251.028831 185.3
[M+Na-2H]- 212.989646 133.4
[M]+ 192.01443142 152.5
[M]- 192.01552858 152.5
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