CID 66344294

1-bromo-3-propoxycyclobutane,mixtureofdiastereomers

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

0
Patents

192.01498 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02226 126.0
[M+Na]+ 215.00420 135.6
[M-H]- 191.00770 132.1
[M+NH4]+ 210.04880 143.3
[M+K]+ 230.97814 129.1
[M+H-H2O]+ 175.01224 122.4
[M+HCOO]- 237.01318 145.9
[M+CH3COO]- 251.02883 185.3
[M+Na-2H]- 212.98965 133.4
[M]+ 192.01443 152.5
[M]- 192.01553 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

No patent data available for this compound.