CID 103027325

2169140-89-8

Structural Information

Molecular Formula
C5H9BrO
SMILES
C1C(CC1O)CBr
InChI
InChI=1S/C5H9BrO/c6-3-4-1-5(7)2-4/h4-5,7H,1-3H2
InChIKey
RDEYAXQOAZNNDA-UHFFFAOYSA-N
Compound name
3-(bromomethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

163.98367 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.990946 118.6
[M+Na]+ 186.972888 128.5
[M-H]- 162.976394 123.7
[M+NH4]+ 182.017493 136.2
[M+K]+ 202.946828 121.6
[M+H-H2O]+ 146.980930 115.4
[M+HCOO]- 208.981871 137.7
[M+CH3COO]- 222.997521 177.3
[M+Na-2H]- 184.958336 126.5
[M]+ 163.98312142 142.7
[M]- 163.98421858 142.7
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